data_3
_audit_creation_date               2022-01-18
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number       '2016/6'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              3
_chemical_name_systematic          ?
_chemical_formula_moiety           'C32 H68 Cl4 Mg O4 Si4 U, C4 H8 O'
_chemical_formula_sum              'C36 H76 Cl4 Mg O5 Si4 U'
_chemical_formula_weight           1105.46
_chemical_melting_point            ?
_chemical_oxdiff_formula           'C36 H76 O5 Mg Cl4 Si4 U'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Cl' 'Cl' 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Mg' 'Mg' 0.1719 0.1771 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si' 'Si' 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'U' 'U' -4.3638 13.4090 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             14
_space_group_name_H-M_alt          'P 1 21/c 1'
_space_group_name_Hall             '-P 2ybc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'

_cell_length_a                     13.3675(2)
_cell_length_b                     15.4703(3)
_cell_length_c                     23.5661(4)
_cell_angle_alpha                  90
_cell_angle_beta                   92.7719(17)
_cell_angle_gamma                  90
_cell_volume                       4867.74(15)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      13194
_cell_measurement_temperature      100.00(10)
_cell_measurement_theta_max        71.6590
_cell_measurement_theta_min        4.3490
_shelx_estimated_absorpt_T_max     0.500
_shelx_estimated_absorpt_T_min     0.189
_exptl_absorpt_coefficient_mu      12.758
_exptl_absorpt_correction_T_max    0.585
_exptl_absorpt_correction_T_min    0.217
_exptl_absorpt_correction_type     analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              brown
_exptl_crystal_colour_primary      brown
_exptl_crystal_density_diffrn      1.508
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               2240
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
 9 0 1 0.0232
 2 0 -15 0.0248
 -8 0 -6 0.0246
 -6 1 15 0.0350
 -1 -12 5 0.1518
 1 8 8 0.0929

_exptl_crystal_size_max            0.196
_exptl_crystal_size_mid            0.096
_exptl_crystal_size_min            0.063
_exptl_crystal_size_rad            0.055
loop_
  _exptl_oxdiff_crystal_face_indexfrac_h
  _exptl_oxdiff_crystal_face_indexfrac_k
  _exptl_oxdiff_crystal_face_indexfrac_l
  _exptl_oxdiff_crystal_face_x
  _exptl_oxdiff_crystal_face_y
  _exptl_oxdiff_crystal_face_z
 8.5952 0.2391 1.2718 -0.9742 -0.1827 0.1325
 2.1469 0.4901 -14.9701 0.0800 -0.9892 0.1230
 -7.8139 0.0830 -5.9574 0.9887 -0.1289 -0.0759
 -6.0039 0.5787 15.2404 0.3509 1.1328 -0.0690
 -1.0020 -11.9387 5.0742 -0.1090 0.2483 -1.2079
 0.6470 8.4391 8.1632 -0.1615 0.5542 0.8166

_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0462
_diffrn_reflns_av_unetI/netI       0.0496
_diffrn_reflns_Laue_measured_fraction_full  0.998
_diffrn_reflns_Laue_measured_fraction_max  0.996
_diffrn_reflns_limit_h_max         16
_diffrn_reflns_limit_h_min         -16
_diffrn_reflns_limit_k_max         18
_diffrn_reflns_limit_k_min         -11
_diffrn_reflns_limit_l_max         28
_diffrn_reflns_limit_l_min         -26
_diffrn_reflns_number              25673
_diffrn_reflns_point_group_measured_fraction_full  0.998
_diffrn_reflns_point_group_measured_fraction_max  0.996
_diffrn_reflns_theta_full          67.684
_diffrn_reflns_theta_max           70.068
_diffrn_reflns_theta_min           3.756
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        100.00(10)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   16.1033
_diffrn_detector_type              Eos
_diffrn_measured_fraction_theta_full  0.998
_diffrn_measured_fraction_theta_max  0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω     18.00  86.00   1.00   20.00    --   36.67-129.00  71.00   68
  2  ω     13.00  38.00   1.00   20.00    --   36.67-142.00 -99.00   25
  3  ω     96.00 121.00   1.00   80.00    --  107.00 129.00 145.00   25
  4  ω     60.00  87.00   1.00   80.00    --  107.00-129.00  71.00   27
  5  ω     87.00 112.00   1.00   80.00    --  107.00 142.00 -43.00   25
  6  ω     60.00  97.00   1.00   80.00    --  107.00-142.00 -99.00   37
  7  ω     53.00  92.00   1.00   20.00    --   36.67  57.00-150.00   39
  8  ω     35.00  97.00   1.00   20.00    --   36.67  57.00 120.00   62
  9  ω     54.00 104.00   1.00   20.00    --   36.67  57.00 150.00   50
 10  ω     41.00  98.00   1.00   20.00    --   36.67  57.00 -90.00   57
 11  ω     38.00 138.00   1.00   80.00    --  107.00 -87.00 -50.52  100
 12  ω     87.00 173.00   1.00   80.00    --  107.00  30.00 -90.00   86
 13  ω     54.00 128.00   1.00   80.00    --  107.00 -30.00  90.00   74
 14  ω     40.00  73.00   1.00   80.00    --  107.00 -88.00  60.61   33
 15  ω     38.00  73.00   1.00   80.00    --  107.00-111.00 120.00   35
 16  ω    101.00 126.00   1.00   80.00    --  107.00 -88.00  60.61   25
 17  ω     93.00 170.00   1.00   80.00    --  107.00  45.00 -30.00   77
 18  ω    121.00 146.00   1.00   80.00    --  107.00  61.00-150.00   25
 19  ω     55.00 103.00   1.00   80.00    --  107.00 -45.00 -60.00   48
 20  ω    108.00 159.00   1.00   80.00    --  107.00  61.00 -90.00   51
 21  ω     91.00 131.00   1.00   80.00    --  107.00 -87.00   2.14   40
 22  ω     44.00  71.00   1.00   80.00    --  107.00-111.00   0.00   27
 23  ω     37.00 103.00   1.00   80.00    --  107.00 -30.00   0.00   66
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'Xcalibur, Eos, Gemini ultra'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.1105183000
_diffrn_orient_matrix_UB_12        0.0095335000
_diffrn_orient_matrix_UB_13        -0.0208787000
_diffrn_orient_matrix_UB_21        -0.0306475000
_diffrn_orient_matrix_UB_22        0.0081006000
_diffrn_orient_matrix_UB_23        0.0619470000
_diffrn_orient_matrix_UB_31        0.0131297000
_diffrn_orient_matrix_UB_32        0.0987524000
_diffrn_orient_matrix_UB_33        -0.0031017000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Cu K\a'
_diffrn_radiation_wavelength       1.54184
_diffrn_source                     'fine-focus sealed X-ray tube'
_diffrn_source_type                'Enhance Ultra (Cu) X-ray Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  8526
_reflns_number_total               9215
_reflns_odcompleteness_completeness  99.57
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       69.95
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection         'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction          'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max           1.121
_refine_diff_density_min           -3.129
_refine_diff_density_rms           0.141
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.038
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       502
_refine_ls_number_reflns           9215
_refine_ls_number_restraints       18
_refine_ls_R_factor_all            0.0344
_refine_ls_R_factor_gt             0.0314
_refine_ls_restrained_S_all        1.038
_refine_ls_shift/su_max            0.003
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0398P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0742
_refine_ls_wR_factor_ref           0.0760
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O5-C36 \\sim O5-C36A
 with sigma of 0.02
 C35-C36 \\sim C35-C36A
 with sigma of 0.02
 O3-C32 \\sim O3-C32A
 with sigma of 0.02
 C31-C32 \\sim C31-C32A
 with sigma of 0.02
 C25-C28 \\sim C25-C28A
 with sigma of 0.02
 C27-C28 \\sim C27-C28A
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C32A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C28A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
4. Others
 Sof(H35C)=Sof(H35D)=Sof(C36A)=Sof(H36C)=Sof(H36D)=1-FVAR(1)
 Sof(H35A)=Sof(H35B)=Sof(C36)=Sof(H36A)=Sof(H36B)=FVAR(1)
 Sof(H31C)=Sof(H31D)=Sof(C32A)=Sof(H32C)=Sof(H32D)=1-FVAR(2)
 Sof(H31A)=Sof(H31B)=Sof(C32)=Sof(H32A)=Sof(H32B)=FVAR(2)
 Sof(H25C)=Sof(H25D)=Sof(H27C)=Sof(H27D)=Sof(C28A)=Sof(H28C)=Sof(H28D)=1-FVAR(3)
 Sof(H25A)=Sof(H25B)=Sof(H27A)=Sof(H27B)=Sof(C28)=Sof(H28A)=Sof(H28B)=FVAR(3)
5.a Secondary CH2 refined with riding coordinates:
 C29(H29A,H29B), C26(H26A,H26B), C30(H30A,H30B), C19(H19A,H19B), C34(H34A,
 H34B), C17(H17A,H17B), C25(H25A,H25B), C25(H25C,H25D), C18(H18A,H18B),
 C33(H33A,H33B), C31(H31A,H31B), C31(H31C,H31D), C21(H21A,H21B), C22(H22A,H22B),
  C20(H20A,H20B), C23(H23A,H23B), C24(H24A,H24B), C27(H27A,H27B), C27(H27C,
 H27D), C28(H28A,H28B), C35(H35A,H35B), C35(H35C,H35D), C36(H36A,H36B),
 C32(H32A,H32B), C36A(H36C,H36D), C32A(H32C,H32D), C28A(H28C,H28D)
5.b Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C16(H16A,H16B,H16C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C),
 C7(H7A,H7B,H7C), C14(H14A,H14B,H14C), C11(H11A,H11B,H11C), C9(H9A,H9B,H9C),
 C15(H15A,H15B,H15C), C13(H13A,H13B,H13C), C12(H12A,H12B,H12C), C10(H10A,H10B,
 H10C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 U1 U 0.75653(2) 0.23805(2) 0.81196(2) 0.01046(5) Uani 1 1 d . . . . .
 Cl3 Cl 0.70816(6) 0.41378(5) 0.79063(4) 0.01595(16) Uani 1 1 d . . . . .
 Cl2 Cl 0.64147(7) 0.24003(5) 0.70766(4) 0.01703(17) Uani 1 1 d . . . . .
 Cl1 Cl 0.75050(7) 0.06996(6) 0.78916(4) 0.01897(17) Uani 1 1 d . . . . .
 Cl4 Cl 0.55618(7) 0.25148(6) 0.83875(4) 0.01892(18) Uani 1 1 d . . . . .
 Si06 Si 0.80363(7) 0.07863(6) 0.94270(4) 0.01377(19) Uani 1 1 d . . . . .
 Si07 Si 1.03836(7) 0.17157(7) 0.86504(4) 0.01536(19) Uani 1 1 d . . . . .
 Si08 Si 0.71408(8) 0.31920(7) 0.97187(4) 0.0170(2) Uani 1 1 d . . . . .
 Si09 Si 0.94335(8) 0.41225(7) 0.88667(5) 0.0188(2) Uani 1 1 d . . . . .
 Mg1 Mg 0.54339(9) 0.35766(8) 0.75274(5) 0.0148(2) Uani 1 1 d . . . . .
 O4 O 0.4550(2) 0.44042(19) 0.79884(12) 0.0213(6) Uani 1 1 d . . . . .
 O2 O 0.5512(2) 0.43789(18) 0.68215(11) 0.0192(6) Uani 1 1 d . . . . .
 O3 O 0.4133(2) 0.30566(19) 0.71868(14) 0.0236(6) Uani 1 1 d D . . . .
 O1 O 0.8778(2) 0.25660(18) 0.73462(12) 0.0192(6) Uani 1 1 d . . . . .
 O5 O 0.3839(4) 0.2579(2) 1.05855(16) 0.0395(9) Uani 1 1 d D . . . .
 C8 C 0.6217(3) 0.2401(3) 0.99971(19) 0.0238(9) Uani 1 1 d . . . . .
 H8A H 0.576184 0.220477 0.968464 0.036 Uiso 1 1 calc R U . . .
 H8B H 0.582949 0.268164 1.028790 0.036 Uiso 1 1 calc R U . . .
 H8C H 0.657653 0.190315 1.016404 0.036 Uiso 1 1 calc R U . . .
 C16 C 1.1001(3) 0.1518(3) 0.93741(18) 0.0225(8) Uani 1 1 d . . . . .
 H16A H 1.104670 0.206292 0.958529 0.034 Uiso 1 1 calc R U . . .
 H16B H 1.167558 0.128464 0.933204 0.034 Uiso 1 1 calc R U . . .
 H16C H 1.060337 0.110191 0.958143 0.034 Uiso 1 1 calc R U . . .
 C29 C 0.3452(3) 0.3478(3) 0.67763(17) 0.0222(8) Uani 1 1 d . . . . .
 H29A H 0.372409 0.347012 0.639310 0.027 Uiso 1 1 calc R U . . .
 H29B H 0.333035 0.408492 0.688693 0.027 Uiso 1 1 calc R U . . .
 C4 C 0.8291(3) 0.1838(2) 0.90766(15) 0.0117(6) Uani 1 1 d . . . . .
 C2 C 0.8777(3) 0.3061(2) 0.88579(16) 0.0148(7) Uani 1 1 d . . . . .
 C5 C 0.8782(3) -0.0155(3) 0.91667(18) 0.0215(8) Uani 1 1 d . . . . .
 H5A H 0.862021 -0.024554 0.876099 0.032 Uiso 1 1 calc R U . . .
 H5B H 0.861480 -0.067629 0.937824 0.032 Uiso 1 1 calc R U . . .
 H5C H 0.949868 -0.003187 0.922527 0.032 Uiso 1 1 calc R U . . .
 C26 C 0.5622(3) 0.5309(3) 0.68761(18) 0.0239(8) Uani 1 1 d . . . . .
 H26A H 0.599140 0.545840 0.723718 0.029 Uiso 1 1 calc R U . . .
 H26B H 0.495756 0.559288 0.686932 0.029 Uiso 1 1 calc R U . . .
 C6 C 0.8423(3) 0.0900(3) 1.02070(16) 0.0213(8) Uani 1 1 d . . . . .
 H6A H 0.914576 0.100489 1.024828 0.032 Uiso 1 1 calc R U . . .
 H6B H 0.825901 0.036763 1.040764 0.032 Uiso 1 1 calc R U . . .
 H6C H 0.806392 0.138701 1.036872 0.032 Uiso 1 1 calc R U . . .
 C1 C 0.9125(3) 0.2173(3) 0.87510(16) 0.0139(7) Uani 1 1 d . . . . .
 C7 C 0.6688(3) 0.0437(3) 0.93390(18) 0.0228(8) Uani 1 1 d . . . . .
 H7A H 0.625202 0.091815 0.943754 0.034 Uiso 1 1 calc R U . . .
 H7B H 0.657303 -0.005422 0.958992 0.034 Uiso 1 1 calc R U . . .
 H7C H 0.653784 0.026625 0.894359 0.034 Uiso 1 1 calc R U . . .
 C30 C 0.2493(3) 0.2950(4) 0.6787(2) 0.0320(10) Uani 1 1 d . . . . .
 H30A H 0.213838 0.294109 0.640836 0.038 Uiso 1 1 calc R U . . .
 H30B H 0.203838 0.318412 0.706864 0.038 Uiso 1 1 calc R U . . .
 C19 C 0.9886(3) 0.2156(3) 0.66419(18) 0.0264(9) Uani 1 1 d . . . . .
 H19A H 0.979590 0.190785 0.625561 0.032 Uiso 1 1 calc R U . . .
 H19B H 1.056636 0.201234 0.679806 0.032 Uiso 1 1 calc R U . . .
 C3 C 0.7950(3) 0.2719(2) 0.91818(16) 0.0140(7) Uani 1 1 d . . . . .
 C34 C 0.3457(4) 0.2716(3) 0.9594(2) 0.0321(10) Uani 1 1 d . . . . .
 H34A H 0.405478 0.269759 0.936237 0.039 Uiso 1 1 calc R U . . .
 H34B H 0.285277 0.259583 0.934674 0.039 Uiso 1 1 calc R U . . .
 C14 C 1.0419(3) 0.0666(3) 0.82433(19) 0.0259(9) Uani 1 1 d . . . . .
 H14A H 1.070739 0.021176 0.849074 0.039 Uiso 1 1 calc R U . . .
 H14B H 1.083191 0.073837 0.791392 0.039 Uiso 1 1 calc R U . . .
 H14C H 0.973760 0.050306 0.811387 0.039 Uiso 1 1 calc R U . . .
 C11 C 1.0519(4) 0.4074(3) 0.9409(2) 0.0305(10) Uani 1 1 d . . . . .
 H11A H 1.026906 0.394153 0.978315 0.046 Uiso 1 1 calc R U . . .
 H11B H 1.086407 0.463275 0.942317 0.046 Uiso 1 1 calc R U . . .
 H11C H 1.098715 0.362160 0.930134 0.046 Uiso 1 1 calc R U . . .
 C17 C 0.8777(3) 0.3275(3) 0.6936(2) 0.0295(10) Uani 1 1 d . . . . .
 H17A H 0.878139 0.384131 0.713126 0.035 Uiso 1 1 calc R U . . .
 H17B H 0.818194 0.324297 0.666984 0.035 Uiso 1 1 calc R U . . .
 C25 C 0.5864(4) 0.4110(3) 0.62704(17) 0.0300(10) Uani 1 1 d D . . . .
 H25A H 0.537558 0.371218 0.607878 0.036 Uiso 0.78(2) 1 calc R U P A 1
 H25B H 0.651622 0.380900 0.631971 0.036 Uiso 0.78(2) 1 calc R U P A 1
 H25C H 0.623738 0.355814 0.630578 0.036 Uiso 0.22(2) 1 calc R U P A 2
 H25D H 0.529314 0.403314 0.599149 0.036 Uiso 0.22(2) 1 calc R U P A 2
 C9 C 0.7984(3) 0.3533(3) 1.03458(18) 0.0260(9) Uani 1 1 d . . . . .
 H9A H 0.757496 0.375012 1.064910 0.039 Uiso 1 1 calc R U . . .
 H9B H 0.843718 0.398991 1.022808 0.039 Uiso 1 1 calc R U . . .
 H9C H 0.837692 0.303516 1.048558 0.039 Uiso 1 1 calc R U . . .
 C18 C 0.9089(3) 0.1813(3) 0.70279(18) 0.0246(9) Uani 1 1 d . . . . .
 H18A H 0.851579 0.156523 0.680063 0.029 Uiso 1 1 calc R U . . .
 H18B H 0.937140 0.136189 0.728711 0.029 Uiso 1 1 calc R U . . .
 C15 C 1.1229(3) 0.2465(3) 0.8263(2) 0.0284(10) Uani 1 1 d . . . . .
 H15A H 1.093742 0.257670 0.788033 0.043 Uiso 1 1 calc R U . . .
 H15B H 1.188856 0.219648 0.823574 0.043 Uiso 1 1 calc R U . . .
 H15C H 1.129926 0.301157 0.847131 0.043 Uiso 1 1 calc R U . . .
 C33 C 0.3552(4) 0.2074(3) 1.0090(2) 0.0332(10) Uani 1 1 d . . . . .
 H33A H 0.290513 0.177935 1.014123 0.040 Uiso 1 1 calc R U . . .
 H33B H 0.406651 0.163235 1.001874 0.040 Uiso 1 1 calc R U . . .
 C31 C 0.2868(4) 0.2047(3) 0.6958(2) 0.0301(10) Uani 1 1 d D . . . .
 H31A H 0.233625 0.171435 0.713883 0.036 Uiso 0.57(2) 1 calc R U P B 1
 H31B H 0.308341 0.172340 0.662276 0.036 Uiso 0.57(2) 1 calc R U P B 1
 H31C H 0.258462 0.186069 0.731881 0.036 Uiso 0.43(2) 1 calc R U P B 2
 H31D H 0.268528 0.161801 0.665890 0.036 Uiso 0.43(2) 1 calc R U P B 2
 C21 C 0.3590(3) 0.4130(3) 0.8211(2) 0.0312(10) Uani 1 1 d . . . . .
 H21A H 0.368783 0.362463 0.846488 0.037 Uiso 1 1 calc R U . . .
 H21B H 0.310780 0.397254 0.789563 0.037 Uiso 1 1 calc R U . . .
 C22 C 0.4809(4) 0.5243(3) 0.8227(2) 0.0288(10) Uani 1 1 d . . . . .
 H22A H 0.466110 0.570682 0.794628 0.035 Uiso 1 1 calc R U . . .
 H22B H 0.552973 0.526609 0.834508 0.035 Uiso 1 1 calc R U . . .
 C13 C 0.9926(4) 0.4444(3) 0.8162(2) 0.0338(11) Uani 1 1 d . . . . .
 H13A H 1.012497 0.392538 0.795730 0.051 Uiso 1 1 calc R U . . .
 H13B H 1.050794 0.482355 0.822555 0.051 Uiso 1 1 calc R U . . .
 H13C H 0.940223 0.475061 0.793753 0.051 Uiso 1 1 calc R U . . .
 C20 C 0.9725(3) 0.3143(3) 0.6628(2) 0.0301(10) Uani 1 1 d . . . . .
 H20A H 1.029476 0.344624 0.682472 0.036 Uiso 1 1 calc R U . . .
 H20B H 0.964835 0.335565 0.623262 0.036 Uiso 1 1 calc R U . . .
 C12 C 0.8650(4) 0.5065(3) 0.9079(2) 0.0293(9) Uani 1 1 d . . . . .
 H12A H 0.808795 0.513998 0.880047 0.044 Uiso 1 1 calc R U . . .
 H12B H 0.906079 0.559013 0.909178 0.044 Uiso 1 1 calc R U . . .
 H12C H 0.839257 0.495733 0.945458 0.044 Uiso 1 1 calc R U . . .
 C23 C 0.4169(4) 0.5345(3) 0.8737(2) 0.0323(11) Uani 1 1 d . . . . .
 H23A H 0.447871 0.505659 0.907740 0.039 Uiso 1 1 calc R U . . .
 H23B H 0.405254 0.596150 0.882452 0.039 Uiso 1 1 calc R U . . .
 C24 C 0.3213(4) 0.4901(4) 0.85362(19) 0.0337(11) Uani 1 1 d . . . . .
 H24A H 0.279303 0.528381 0.828635 0.040 Uiso 1 1 calc R U . . .
 H24B H 0.282106 0.471423 0.886043 0.040 Uiso 1 1 calc R U . . .
 C27 C 0.6203(5) 0.5597(3) 0.6373(2) 0.0409(13) Uani 1 1 d D . . . .
 H27A H 0.597591 0.617233 0.623590 0.049 Uiso 0.78(2) 1 calc R U P A 1
 H27B H 0.693023 0.562121 0.647357 0.049 Uiso 0.78(2) 1 calc R U P A 1
 H27C H 0.577737 0.595195 0.610862 0.049 Uiso 0.22(2) 1 calc R U P A 2
 H27D H 0.679831 0.593888 0.650045 0.049 Uiso 0.22(2) 1 calc R U P A 2
 C10 C 0.6352(4) 0.4135(3) 0.9464(2) 0.0272(9) Uani 1 1 d . . . . .
 H10A H 0.583051 0.393247 0.918853 0.041 Uiso 1 1 calc R U . . .
 H10B H 0.677573 0.456021 0.928188 0.041 Uiso 1 1 calc R U . . .
 H10C H 0.603896 0.440322 0.978730 0.041 Uiso 1 1 calc R U . . .
 C28 C 0.5969(6) 0.4907(4) 0.5931(3) 0.030(2) Uani 0.78(2) 1 d D . P A 1
 H28A H 0.534064 0.504041 0.570869 0.036 Uiso 0.78(2) 1 calc R U P A 1
 H28B H 0.652070 0.485081 0.566734 0.036 Uiso 0.78(2) 1 calc R U P A 1
 C35 C 0.3372(6) 0.3576(4) 0.9890(3) 0.0513(15) Uani 1 1 d D . . . .
 H35A H 0.397117 0.393617 0.983313 0.062 Uiso 0.57(4) 1 calc R U P C 1
 H35B H 0.277022 0.389323 0.974471 0.062 Uiso 0.57(4) 1 calc R U P C 1
 H35C H 0.370372 0.403215 0.967254 0.062 Uiso 0.43(4) 1 calc R U P C 2
 H35D H 0.265889 0.373399 0.991888 0.062 Uiso 0.43(4) 1 calc R U P C 2
 C36 C 0.3298(19) 0.3368(9) 1.0476(4) 0.045(5) Uani 0.57(4) 1 d D . P C 1
 H36A H 0.258662 0.329338 1.056524 0.053 Uiso 0.57(4) 1 calc R U P C 1
 H36B H 0.358654 0.383906 1.071663 0.053 Uiso 0.57(4) 1 calc R U P C 1
 C32 C 0.3741(6) 0.2208(5) 0.7373(5) 0.026(3) Uani 0.57(2) 1 d D . P B 1
 H32A H 0.351991 0.223805 0.776794 0.032 Uiso 0.57(2) 1 calc R U P B 1
 H32B H 0.425358 0.174902 0.734923 0.032 Uiso 0.57(2) 1 calc R U P B 1
 C36A C 0.3849(17) 0.3501(7) 1.0449(5) 0.033(4) Uani 0.43(4) 1 d D . P C 2
 H36C H 0.347514 0.383378 1.072883 0.039 Uiso 0.43(4) 1 calc R U P C 2
 H36D H 0.454444 0.372068 1.045195 0.039 Uiso 0.43(4) 1 calc R U P C 2
 C32A C 0.3974(7) 0.2151(6) 0.7026(5) 0.020(3) Uani 0.43(2) 1 d D U P B 2
 H32C H 0.425620 0.176041 0.732552 0.024 Uiso 0.43(2) 1 calc R U P B 2
 H32D H 0.429331 0.202063 0.666539 0.024 Uiso 0.43(2) 1 calc R U P B 2
 C28A C 0.650(2) 0.4789(11) 0.6099(12) 0.038(8) Uani 0.22(2) 1 d D U P A 2
 H28C H 0.644687 0.485513 0.568050 0.046 Uiso 0.22(2) 1 calc R U P A 2
 H28D H 0.720817 0.465149 0.621133 0.046 Uiso 0.22(2) 1 calc R U P A 2


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 U1 Cl3 2.8337(9) . ?
 U1 Cl2 2.8359(9) . ?
 U1 Cl1 2.6557(9) . ?
 U1 Cl4 2.7890(9) . ?
 U1 Mg1 3.6200(12) . ?
 U1 O1 2.513(3) . ?
 U1 C4 2.554(4) . ?
 U1 C2 2.546(4) . ?
 U1 C1 2.522(4) . ?
 U1 C3 2.584(4) . ?
 Cl3 Mg1 2.4925(15) . ?
 Cl2 Mg1 2.5087(15) . ?
 Cl4 Mg1 2.6081(15) . ?
 Si06 C4 1.863(4) . ?
 Si06 C5 1.884(4) . ?
 Si06 C6 1.893(4) . ?
 Si06 C7 1.883(4) . ?
 Si07 C16 1.884(4) . ?
 Si07 C1 1.851(4) . ?
 Si07 C14 1.888(4) . ?
 Si07 C15 1.885(5) . ?
 Si08 C8 1.880(4) . ?
 Si08 C3 1.854(4) . ?
 Si08 C9 1.890(5) . ?
 Si08 C10 1.881(4) . ?
 Si09 C2 1.862(4) . ?
 Si09 C11 1.888(5) . ?
 Si09 C13 1.882(5) . ?
 Si09 C12 1.877(5) . ?
 Mg1 O4 2.083(3) . ?
 Mg1 O2 2.082(3) . ?
 Mg1 O3 2.045(3) . ?
 O4 C21 1.471(5) . ?
 O4 C22 1.450(6) . ?
 O2 C26 1.452(5) . ?
 O2 C25 1.463(5) . ?
 O3 C29 1.451(5) . ?
 O3 C32 1.488(8) . ?
 O3 C32A 1.464(9) . ?
 O1 C17 1.461(5) . ?
 O1 C18 1.457(5) . ?
 O5 C33 1.441(7) . ?
 O5 C36 1.436(10) . ?
 O5 C36A 1.462(12) . ?
 C8 H8A 0.9800 . ?
 C8 H8B 0.9800 . ?
 C8 H8C 0.9800 . ?
 C16 H16A 0.9800 . ?
 C16 H16B 0.9800 . ?
 C16 H16C 0.9800 . ?
 C29 H29A 0.9900 . ?
 C29 H29B 0.9900 . ?
 C29 C30 1.520(6) . ?
 C4 C1 1.477(5) . ?
 C4 C3 1.463(5) . ?
 C2 C1 1.475(5) . ?
 C2 C3 1.472(5) . ?
 C5 H5A 0.9800 . ?
 C5 H5B 0.9800 . ?
 C5 H5C 0.9800 . ?
 C26 H26A 0.9900 . ?
 C26 H26B 0.9900 . ?
 C26 C27 1.515(6) . ?
 C6 H6A 0.9800 . ?
 C6 H6B 0.9800 . ?
 C6 H6C 0.9800 . ?
 C7 H7A 0.9800 . ?
 C7 H7B 0.9800 . ?
 C7 H7C 0.9800 . ?
 C30 H30A 0.9900 . ?
 C30 H30B 0.9900 . ?
 C30 C31 1.532(7) . ?
 C19 H19A 0.9900 . ?
 C19 H19B 0.9900 . ?
 C19 C18 1.530(6) . ?
 C19 C20 1.541(7) . ?
 C34 H34A 0.9900 . ?
 C34 H34B 0.9900 . ?
 C34 C33 1.534(7) . ?
 C34 C35 1.509(8) . ?
 C14 H14A 0.9800 . ?
 C14 H14B 0.9800 . ?
 C14 H14C 0.9800 . ?
 C11 H11A 0.9800 . ?
 C11 H11B 0.9800 . ?
 C11 H11C 0.9800 . ?
 C17 H17A 0.9900 . ?
 C17 H17B 0.9900 . ?
 C17 C20 1.505(6) . ?
 C25 H25A 0.9900 . ?
 C25 H25B 0.9900 . ?
 C25 H25C 0.9900 . ?
 C25 H25D 0.9900 . ?
 C25 C28 1.481(7) . ?
 C25 C28A 1.425(16) . ?
 C9 H9A 0.9800 . ?
 C9 H9B 0.9800 . ?
 C9 H9C 0.9800 . ?
 C18 H18A 0.9900 . ?
 C18 H18B 0.9900 . ?
 C15 H15A 0.9800 . ?
 C15 H15B 0.9800 . ?
 C15 H15C 0.9800 . ?
 C33 H33A 0.9900 . ?
 C33 H33B 0.9900 . ?
 C31 H31A 0.9900 . ?
 C31 H31B 0.9900 . ?
 C31 H31C 0.9900 . ?
 C31 H31D 0.9900 . ?
 C31 C32 1.507(9) . ?
 C31 C32A 1.488(10) . ?
 C21 H21A 0.9900 . ?
 C21 H21B 0.9900 . ?
 C21 C24 1.518(7) . ?
 C22 H22A 0.9900 . ?
 C22 H22B 0.9900 . ?
 C22 C23 1.517(6) . ?
 C13 H13A 0.9800 . ?
 C13 H13B 0.9800 . ?
 C13 H13C 0.9800 . ?
 C20 H20A 0.9900 . ?
 C20 H20B 0.9900 . ?
 C12 H12A 0.9800 . ?
 C12 H12B 0.9800 . ?
 C12 H12C 0.9800 . ?
 C23 H23A 0.9900 . ?
 C23 H23B 0.9900 . ?
 C23 C24 1.507(8) . ?
 C24 H24A 0.9900 . ?
 C24 H24B 0.9900 . ?
 C27 H27A 0.9900 . ?
 C27 H27B 0.9900 . ?
 C27 H27C 0.9900 . ?
 C27 H27D 0.9900 . ?
 C27 C28 1.514(8) . ?
 C27 C28A 1.472(17) . ?
 C10 H10A 0.9800 . ?
 C10 H10B 0.9800 . ?
 C10 H10C 0.9800 . ?
 C28 H28A 0.9900 . ?
 C28 H28B 0.9900 . ?
 C35 H35A 0.9900 . ?
 C35 H35B 0.9900 . ?
 C35 H35C 0.9900 . ?
 C35 H35D 0.9900 . ?
 C35 C36 1.426(11) . ?
 C35 C36A 1.440(12) . ?
 C36 H36A 0.9900 . ?
 C36 H36B 0.9900 . ?
 C32 H32A 0.9900 . ?
 C32 H32B 0.9900 . ?
 C36A H36C 0.9900 . ?
 C36A H36D 0.9900 . ?
 C32A H32C 0.9900 . ?
 C32A H32D 0.9900 . ?
 C28A H28C 0.9900 . ?
 C28A H28D 0.9900 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 Cl3 U1 Cl2 74.12(2) . . ?
 Cl3 U1 Mg1 43.34(3) . . ?
 Cl2 U1 Mg1 43.66(3) . . ?
 Cl1 U1 Cl3 154.04(3) . . ?
 Cl1 U1 Cl2 79.94(3) . . ?
 Cl1 U1 Cl4 95.66(3) . . ?
 Cl1 U1 Mg1 114.01(3) . . ?
 Cl4 U1 Cl3 75.84(2) . . ?
 Cl4 U1 Cl2 73.08(3) . . ?
 Cl4 U1 Mg1 45.79(3) . . ?
 O1 U1 Cl3 84.92(7) . . ?
 O1 U1 Cl2 73.27(7) . . ?
 O1 U1 Cl1 88.83(7) . . ?
 O1 U1 Cl4 144.66(7) . . ?
 O1 U1 Mg1 100.68(7) . . ?
 O1 U1 C4 116.56(10) . . ?
 O1 U1 C2 92.13(11) . . ?
 O1 U1 C1 84.19(11) . . ?
 O1 U1 C3 125.05(11) . . ?
 C4 U1 Cl3 123.07(8) . . ?
 C4 U1 Cl2 159.39(8) . . ?
 C4 U1 Cl1 82.14(8) . . ?
 C4 U1 Cl4 98.77(8) . . ?
 C4 U1 Mg1 140.07(8) . . ?
 C4 U1 C3 33.07(11) . . ?
 C2 U1 Cl3 81.77(9) . . ?
 C2 U1 Cl2 152.64(9) . . ?
 C2 U1 Cl1 123.70(9) . . ?
 C2 U1 Cl4 113.60(8) . . ?
 C2 U1 Mg1 120.99(9) . . ?
 C2 U1 C4 47.97(12) . . ?
 C2 U1 C3 33.33(11) . . ?
 C1 U1 Cl3 113.68(9) . . ?
 C1 U1 Cl2 155.62(8) . . ?
 C1 U1 Cl1 90.62(9) . . ?
 C1 U1 Cl4 130.62(8) . . ?
 C1 U1 Mg1 154.82(9) . . ?
 C1 U1 C4 33.83(11) . . ?
 C1 U1 C2 33.83(12) . . ?
 C1 U1 C3 48.28(12) . . ?
 C3 U1 Cl3 90.59(8) . . ?
 C3 U1 Cl2 155.69(8) . . ?
 C3 U1 Cl1 113.39(9) . . ?
 C3 U1 Cl4 85.05(9) . . ?
 C3 U1 Mg1 112.68(8) . . ?
 Mg1 Cl3 U1 85.38(4) . . ?
 Mg1 Cl2 U1 85.03(4) . . ?
 Mg1 Cl4 U1 84.17(4) . . ?
 C4 Si06 C5 114.79(17) . . ?
 C4 Si06 C6 107.57(18) . . ?
 C4 Si06 C7 113.33(18) . . ?
 C5 Si06 C6 105.32(19) . . ?
 C7 Si06 C5 105.14(19) . . ?
 C7 Si06 C6 110.40(19) . . ?
 C16 Si07 C14 107.4(2) . . ?
 C16 Si07 C15 107.0(2) . . ?
 C1 Si07 C16 107.92(17) . . ?
 C1 Si07 C14 116.07(18) . . ?
 C1 Si07 C15 113.37(19) . . ?
 C15 Si07 C14 104.6(2) . . ?
 C8 Si08 C9 106.6(2) . . ?
 C8 Si08 C10 104.4(2) . . ?
 C3 Si08 C8 113.32(18) . . ?
 C3 Si08 C9 107.36(18) . . ?
 C3 Si08 C10 115.10(19) . . ?
 C10 Si08 C9 109.7(2) . . ?
 C2 Si09 C11 108.59(19) . . ?
 C2 Si09 C13 114.1(2) . . ?
 C2 Si09 C12 114.80(19) . . ?
 C13 Si09 C11 108.5(2) . . ?
 C12 Si09 C11 105.7(2) . . ?
 C12 Si09 C13 104.7(2) . . ?
 Cl3 Mg1 U1 51.28(3) . . ?
 Cl3 Mg1 Cl2 86.19(5) . . ?
 Cl3 Mg1 Cl4 85.26(5) . . ?
 Cl2 Mg1 U1 51.30(3) . . ?
 Cl2 Mg1 Cl4 81.74(5) . . ?
 Cl4 Mg1 U1 50.04(3) . . ?
 O4 Mg1 U1 124.68(10) . . ?
 O4 Mg1 Cl3 96.49(10) . . ?
 O4 Mg1 Cl2 171.06(10) . . ?
 O4 Mg1 Cl4 89.96(9) . . ?
 O2 Mg1 U1 122.92(9) . . ?
 O2 Mg1 Cl3 90.04(9) . . ?
 O2 Mg1 Cl2 92.66(9) . . ?
 O2 Mg1 Cl4 172.91(10) . . ?
 O2 Mg1 O4 95.85(12) . . ?
 O3 Mg1 U1 126.08(9) . . ?
 O3 Mg1 Cl3 176.19(11) . . ?
 O3 Mg1 Cl2 90.02(10) . . ?
 O3 Mg1 Cl4 94.58(10) . . ?
 O3 Mg1 O4 87.32(13) . . ?
 O3 Mg1 O2 89.75(13) . . ?
 C21 O4 Mg1 122.3(3) . . ?
 C22 O4 Mg1 128.4(3) . . ?
 C22 O4 C21 108.4(3) . . ?
 C26 O2 Mg1 121.9(2) . . ?
 C26 O2 C25 109.0(3) . . ?
 C25 O2 Mg1 124.8(3) . . ?
 C29 O3 Mg1 125.4(2) . . ?
 C29 O3 C32 112.0(4) . . ?
 C29 O3 C32A 100.3(5) . . ?
 C32 O3 Mg1 122.4(4) . . ?
 C32A O3 Mg1 126.0(4) . . ?
 C17 O1 U1 125.8(2) . . ?
 C18 O1 U1 119.5(2) . . ?
 C18 O1 C17 104.5(3) . . ?
 C33 O5 C36A 110.8(5) . . ?
 C36 O5 C33 101.7(8) . . ?
 Si08 C8 H8A 109.5 . . ?
 Si08 C8 H8B 109.5 . . ?
 Si08 C8 H8C 109.5 . . ?
 H8A C8 H8B 109.5 . . ?
 H8A C8 H8C 109.5 . . ?
 H8B C8 H8C 109.5 . . ?
 Si07 C16 H16A 109.5 . . ?
 Si07 C16 H16B 109.5 . . ?
 Si07 C16 H16C 109.5 . . ?
 H16A C16 H16B 109.5 . . ?
 H16A C16 H16C 109.5 . . ?
 H16B C16 H16C 109.5 . . ?
 O3 C29 H29A 110.9 . . ?
 O3 C29 H29B 110.9 . . ?
 O3 C29 C30 104.5(4) . . ?
 H29A C29 H29B 108.9 . . ?
 C30 C29 H29A 110.9 . . ?
 C30 C29 H29B 110.9 . . ?
 Si06 C4 U1 127.50(17) . . ?
 C1 C4 U1 71.9(2) . . ?
 C1 C4 Si06 134.1(3) . . ?
 C3 C4 U1 74.6(2) . . ?
 C3 C4 Si06 132.3(3) . . ?
 C3 C4 C1 90.6(3) . . ?
 Si09 C2 U1 130.99(18) . . ?
 C1 C2 U1 72.2(2) . . ?
 C1 C2 Si09 132.1(3) . . ?
 C3 C2 U1 74.8(2) . . ?
 C3 C2 Si09 132.6(3) . . ?
 C3 C2 C1 90.3(3) . . ?
 Si06 C5 H5A 109.5 . . ?
 Si06 C5 H5B 109.5 . . ?
 Si06 C5 H5C 109.5 . . ?
 H5A C5 H5B 109.5 . . ?
 H5A C5 H5C 109.5 . . ?
 H5B C5 H5C 109.5 . . ?
 O2 C26 H26A 110.5 . . ?
 O2 C26 H26B 110.5 . . ?
 O2 C26 C27 106.0(4) . . ?
 H26A C26 H26B 108.7 . . ?
 C27 C26 H26A 110.5 . . ?
 C27 C26 H26B 110.5 . . ?
 Si06 C6 H6A 109.5 . . ?
 Si06 C6 H6B 109.5 . . ?
 Si06 C6 H6C 109.5 . . ?
 H6A C6 H6B 109.5 . . ?
 H6A C6 H6C 109.5 . . ?
 H6B C6 H6C 109.5 . . ?
 Si07 C1 U1 134.70(19) . . ?
 C4 C1 U1 74.3(2) . . ?
 C4 C1 Si07 130.2(3) . . ?
 C2 C1 U1 74.0(2) . . ?
 C2 C1 Si07 132.3(3) . . ?
 C2 C1 C4 89.2(3) . . ?
 Si06 C7 H7A 109.5 . . ?
 Si06 C7 H7B 109.5 . . ?
 Si06 C7 H7C 109.5 . . ?
 H7A C7 H7B 109.5 . . ?
 H7A C7 H7C 109.5 . . ?
 H7B C7 H7C 109.5 . . ?
 C29 C30 H30A 111.1 . . ?
 C29 C30 H30B 111.1 . . ?
 C29 C30 C31 103.2(4) . . ?
 H30A C30 H30B 109.1 . . ?
 C31 C30 H30A 111.1 . . ?
 C31 C30 H30B 111.1 . . ?
 H19A C19 H19B 108.9 . . ?
 C18 C19 H19A 110.8 . . ?
 C18 C19 H19B 110.8 . . ?
 C18 C19 C20 104.8(3) . . ?
 C20 C19 H19A 110.8 . . ?
 C20 C19 H19B 110.8 . . ?
 Si08 C3 U1 130.23(18) . . ?
 C4 C3 U1 72.3(2) . . ?
 C4 C3 Si08 132.9(3) . . ?
 C4 C3 C2 89.9(3) . . ?
 C2 C3 U1 71.9(2) . . ?
 C2 C3 Si08 133.6(3) . . ?
 H34A C34 H34B 109.1 . . ?
 C33 C34 H34A 111.2 . . ?
 C33 C34 H34B 111.2 . . ?
 C35 C34 H34A 111.2 . . ?
 C35 C34 H34B 111.2 . . ?
 C35 C34 C33 102.9(4) . . ?
 Si07 C14 H14A 109.5 . . ?
 Si07 C14 H14B 109.5 . . ?
 Si07 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 Si09 C11 H11A 109.5 . . ?
 Si09 C11 H11B 109.5 . . ?
 Si09 C11 H11C 109.5 . . ?
 H11A C11 H11B 109.5 . . ?
 H11A C11 H11C 109.5 . . ?
 H11B C11 H11C 109.5 . . ?
 O1 C17 H17A 110.9 . . ?
 O1 C17 H17B 110.9 . . ?
 O1 C17 C20 104.1(4) . . ?
 H17A C17 H17B 109.0 . . ?
 C20 C17 H17A 110.9 . . ?
 C20 C17 H17B 110.9 . . ?
 O2 C25 H25A 110.4 . . ?
 O2 C25 H25B 110.4 . . ?
 O2 C25 H25C 110.7 . . ?
 O2 C25 H25D 110.7 . . ?
 O2 C25 C28 106.6(4) . . ?
 H25A C25 H25B 108.6 . . ?
 H25C C25 H25D 108.8 . . ?
 C28 C25 H25A 110.4 . . ?
 C28 C25 H25B 110.4 . . ?
 C28A C25 O2 105.4(9) . . ?
 C28A C25 H25C 110.7 . . ?
 C28A C25 H25D 110.7 . . ?
 Si08 C9 H9A 109.5 . . ?
 Si08 C9 H9B 109.5 . . ?
 Si08 C9 H9C 109.5 . . ?
 H9A C9 H9B 109.5 . . ?
 H9A C9 H9C 109.5 . . ?
 H9B C9 H9C 109.5 . . ?
 O1 C18 C19 104.6(3) . . ?
 O1 C18 H18A 110.8 . . ?
 O1 C18 H18B 110.8 . . ?
 C19 C18 H18A 110.8 . . ?
 C19 C18 H18B 110.8 . . ?
 H18A C18 H18B 108.9 . . ?
 Si07 C15 H15A 109.5 . . ?
 Si07 C15 H15B 109.5 . . ?
 Si07 C15 H15C 109.5 . . ?
 H15A C15 H15B 109.5 . . ?
 H15A C15 H15C 109.5 . . ?
 H15B C15 H15C 109.5 . . ?
 O5 C33 C34 106.0(4) . . ?
 O5 C33 H33A 110.5 . . ?
 O5 C33 H33B 110.5 . . ?
 C34 C33 H33A 110.5 . . ?
 C34 C33 H33B 110.5 . . ?
 H33A C33 H33B 108.7 . . ?
 C30 C31 H31A 110.8 . . ?
 C30 C31 H31B 110.8 . . ?
 C30 C31 H31C 111.0 . . ?
 C30 C31 H31D 111.0 . . ?
 H31A C31 H31B 108.9 . . ?
 H31C C31 H31D 109.0 . . ?
 C32 C31 C30 104.7(4) . . ?
 C32 C31 H31A 110.8 . . ?
 C32 C31 H31B 110.8 . . ?
 C32A C31 C30 103.9(5) . . ?
 C32A C31 H31C 111.0 . . ?
 C32A C31 H31D 111.0 . . ?
 O4 C21 H21A 110.6 . . ?
 O4 C21 H21B 110.6 . . ?
 O4 C21 C24 105.7(4) . . ?
 H21A C21 H21B 108.7 . . ?
 C24 C21 H21A 110.6 . . ?
 C24 C21 H21B 110.6 . . ?
 O4 C22 H22A 110.6 . . ?
 O4 C22 H22B 110.6 . . ?
 O4 C22 C23 105.5(4) . . ?
 H22A C22 H22B 108.8 . . ?
 C23 C22 H22A 110.6 . . ?
 C23 C22 H22B 110.6 . . ?
 Si09 C13 H13A 109.5 . . ?
 Si09 C13 H13B 109.5 . . ?
 Si09 C13 H13C 109.5 . . ?
 H13A C13 H13B 109.5 . . ?
 H13A C13 H13C 109.5 . . ?
 H13B C13 H13C 109.5 . . ?
 C19 C20 H20A 110.9 . . ?
 C19 C20 H20B 110.9 . . ?
 C17 C20 C19 104.1(4) . . ?
 C17 C20 H20A 110.9 . . ?
 C17 C20 H20B 110.9 . . ?
 H20A C20 H20B 108.9 . . ?
 Si09 C12 H12A 109.5 . . ?
 Si09 C12 H12B 109.5 . . ?
 Si09 C12 H12C 109.5 . . ?
 H12A C12 H12B 109.5 . . ?
 H12A C12 H12C 109.5 . . ?
 H12B C12 H12C 109.5 . . ?
 C22 C23 H23A 111.4 . . ?
 C22 C23 H23B 111.4 . . ?
 H23A C23 H23B 109.3 . . ?
 C24 C23 C22 101.9(4) . . ?
 C24 C23 H23A 111.4 . . ?
 C24 C23 H23B 111.4 . . ?
 C21 C24 H24A 111.2 . . ?
 C21 C24 H24B 111.2 . . ?
 C23 C24 C21 102.7(4) . . ?
 C23 C24 H24A 111.2 . . ?
 C23 C24 H24B 111.2 . . ?
 H24A C24 H24B 109.1 . . ?
 C26 C27 H27A 111.0 . . ?
 C26 C27 H27B 111.0 . . ?
 C26 C27 H27C 110.8 . . ?
 C26 C27 H27D 110.8 . . ?
 H27A C27 H27B 109.0 . . ?
 H27C C27 H27D 108.9 . . ?
 C28 C27 C26 103.6(4) . . ?
 C28 C27 H27A 111.0 . . ?
 C28 C27 H27B 111.0 . . ?
 C28A C27 C26 104.8(8) . . ?
 C28A C27 H27C 110.8 . . ?
 C28A C27 H27D 110.8 . . ?
 Si08 C10 H10A 109.5 . . ?
 Si08 C10 H10B 109.5 . . ?
 Si08 C10 H10C 109.5 . . ?
 H10A C10 H10B 109.5 . . ?
 H10A C10 H10C 109.5 . . ?
 H10B C10 H10C 109.5 . . ?
 C25 C28 C27 103.7(4) . . ?
 C25 C28 H28A 111.0 . . ?
 C25 C28 H28B 111.0 . . ?
 C27 C28 H28A 111.0 . . ?
 C27 C28 H28B 111.0 . . ?
 H28A C28 H28B 109.0 . . ?
 C34 C35 H35A 110.7 . . ?
 C34 C35 H35B 110.7 . . ?
 C34 C35 H35C 110.0 . . ?
 C34 C35 H35D 110.0 . . ?
 H35A C35 H35B 108.8 . . ?
 H35C C35 H35D 108.4 . . ?
 C36 C35 C34 105.1(7) . . ?
 C36 C35 H35A 110.7 . . ?
 C36 C35 H35B 110.7 . . ?
 C36A C35 C34 108.2(7) . . ?
 C36A C35 H35C 110.0 . . ?
 C36A C35 H35D 110.0 . . ?
 O5 C36 H36A 110.1 . . ?
 O5 C36 H36B 110.1 . . ?
 C35 C36 O5 107.9(7) . . ?
 C35 C36 H36A 110.1 . . ?
 C35 C36 H36B 110.1 . . ?
 H36A C36 H36B 108.4 . . ?
 O3 C32 C31 103.1(5) . . ?
 O3 C32 H32A 111.2 . . ?
 O3 C32 H32B 111.2 . . ?
 C31 C32 H32A 111.2 . . ?
 C31 C32 H32B 111.2 . . ?
 H32A C32 H32B 109.1 . . ?
 O5 C36A H36C 110.6 . . ?
 O5 C36A H36D 110.6 . . ?
 C35 C36A O5 105.7(8) . . ?
 C35 C36A H36C 110.6 . . ?
 C35 C36A H36D 110.6 . . ?
 H36C C36A H36D 108.7 . . ?
 O3 C32A C31 105.2(6) . . ?
 O3 C32A H32C 110.7 . . ?
 O3 C32A H32D 110.7 . . ?
 C31 C32A H32C 110.7 . . ?
 C31 C32A H32D 110.7 . . ?
 H32C C32A H32D 108.8 . . ?
 C25 C28A C27 108.8(11) . . ?
 C25 C28A H28C 109.9 . . ?
 C25 C28A H28D 109.9 . . ?
 C27 C28A H28C 109.9 . . ?
 C27 C28A H28D 109.9 . . ?
 H28C C28A H28D 108.3 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 U1 O1 C17 C20 172.4(3) . . . . ?
 U1 O1 C18 C19 -174.9(3) . . . . ?
 U1 C4 C1 Si07 -135.9(3) . . . . ?
 U1 C4 C1 C2 73.6(2) . . . . ?
 U1 C4 C3 Si08 129.0(3) . . . . ?
 U1 C4 C3 C2 -71.0(2) . . . . ?
 U1 C2 C1 Si07 136.8(3) . . . . ?
 U1 C2 C1 C4 -73.8(2) . . . . ?
 U1 C2 C3 Si08 -128.8(4) . . . . ?
 U1 C2 C3 C4 71.4(2) . . . . ?
 Si06 C4 C1 U1 125.1(3) . . . . ?
 Si06 C4 C1 Si07 -10.8(6) . . . . ?
 Si06 C4 C1 C2 -161.3(3) . . . . ?
 Si06 C4 C3 U1 -127.1(3) . . . . ?
 Si06 C4 C3 Si08 1.9(6) . . . . ?
 Si06 C4 C3 C2 161.9(3) . . . . ?
 Si09 C2 C1 U1 -129.7(3) . . . . ?
 Si09 C2 C1 Si07 7.1(6) . . . . ?
 Si09 C2 C1 C4 156.5(3) . . . . ?
 Si09 C2 C3 U1 132.3(4) . . . . ?
 Si09 C2 C3 Si08 3.4(6) . . . . ?
 Si09 C2 C3 C4 -156.3(3) . . . . ?
 Mg1 O4 C21 C24 177.7(3) . . . . ?
 Mg1 O4 C22 C23 -152.0(3) . . . . ?
 Mg1 O2 C26 C27 149.4(3) . . . . ?
 Mg1 O2 C25 C28 -170.0(4) . . . . ?
 Mg1 O2 C25 C28A -136.0(15) . . . . ?
 Mg1 O3 C29 C30 -164.7(3) . . . . ?
 Mg1 O3 C32 C31 -172.8(3) . . . . ?
 Mg1 O3 C32A C31 164.5(4) . . . . ?
 O4 C21 C24 C23 -29.3(5) . . . . ?
 O4 C22 C23 C24 -35.5(4) . . . . ?
 O2 C26 C27 C28 25.8(6) . . . . ?
 O2 C26 C27 C28A -7.0(15) . . . . ?
 O2 C25 C28 C27 28.9(6) . . . . ?
 O2 C25 C28A C27 -26(2) . . . . ?
 O3 C29 C30 C31 -28.4(4) . . . . ?
 O1 C17 C20 C19 30.4(5) . . . . ?
 C8 Si08 C3 U1 77.4(3) . . . . ?
 C8 Si08 C3 C4 -26.6(4) . . . . ?
 C8 Si08 C3 C2 -178.4(4) . . . . ?
 C16 Si07 C1 U1 -164.6(2) . . . . ?
 C16 Si07 C1 C4 -55.0(4) . . . . ?
 C16 Si07 C1 C2 83.3(4) . . . . ?
 C29 O3 C32 C31 11.4(8) . . . . ?
 C29 O3 C32A C31 -46.1(7) . . . . ?
 C29 C30 C31 C32 35.9(6) . . . . ?
 C29 C30 C31 C32A 0.0(6) . . . . ?
 C5 Si06 C4 U1 81.7(2) . . . . ?
 C5 Si06 C4 C1 -19.8(4) . . . . ?
 C5 Si06 C4 C3 -174.1(3) . . . . ?
 C26 O2 C25 C28 -13.1(6) . . . . ?
 C26 O2 C25 C28A 21.0(15) . . . . ?
 C26 C27 C28 C25 -33.3(6) . . . . ?
 C26 C27 C28A C25 20(2) . . . . ?
 C6 Si06 C4 U1 -161.5(2) . . . . ?
 C6 Si06 C4 C1 97.1(4) . . . . ?
 C6 Si06 C4 C3 -57.2(4) . . . . ?
 C1 C4 C3 U1 71.1(2) . . . . ?
 C1 C4 C3 Si08 -160.0(3) . . . . ?
 C1 C4 C3 C2 0.0(3) . . . . ?
 C1 C2 C3 U1 -71.4(2) . . . . ?
 C1 C2 C3 Si08 159.7(3) . . . . ?
 C1 C2 C3 C4 0.0(3) . . . . ?
 C7 Si06 C4 U1 -39.2(3) . . . . ?
 C7 Si06 C4 C1 -140.6(4) . . . . ?
 C7 Si06 C4 C3 65.1(4) . . . . ?
 C30 C31 C32 O3 -28.9(7) . . . . ?
 C30 C31 C32A O3 28.1(8) . . . . ?
 C3 C4 C1 U1 -73.6(2) . . . . ?
 C3 C4 C1 Si07 150.5(3) . . . . ?
 C3 C4 C1 C2 0.0(3) . . . . ?
 C3 C2 C1 U1 73.9(2) . . . . ?
 C3 C2 C1 Si07 -149.4(3) . . . . ?
 C3 C2 C1 C4 0.0(3) . . . . ?
 C34 C35 C36 O5 30.2(18) . . . . ?
 C34 C35 C36A O5 -23.0(16) . . . . ?
 C14 Si07 C1 U1 -44.1(3) . . . . ?
 C14 Si07 C1 C4 65.6(4) . . . . ?
 C14 Si07 C1 C2 -156.2(4) . . . . ?
 C11 Si09 C2 U1 -161.7(2) . . . . ?
 C11 Si09 C2 C1 -57.9(4) . . . . ?
 C11 Si09 C2 C3 89.3(4) . . . . ?
 C17 O1 C18 C19 37.9(4) . . . . ?
 C25 O2 C26 C27 -8.3(5) . . . . ?
 C9 Si08 C3 U1 -165.1(2) . . . . ?
 C9 Si08 C3 C4 90.8(4) . . . . ?
 C9 Si08 C3 C2 -61.0(4) . . . . ?
 C18 O1 C17 C20 -43.1(5) . . . . ?
 C18 C19 C20 C17 -7.4(5) . . . . ?
 C15 Si07 C1 U1 77.1(3) . . . . ?
 C15 Si07 C1 C4 -173.2(4) . . . . ?
 C15 Si07 C1 C2 -35.0(4) . . . . ?
 C33 O5 C36 C35 -41.7(17) . . . . ?
 C33 O5 C36A C35 11.1(17) . . . . ?
 C33 C34 C35 C36 -6.9(12) . . . . ?
 C33 C34 C35 C36A 25.5(12) . . . . ?
 C21 O4 C22 C23 17.6(5) . . . . ?
 C22 O4 C21 C24 7.3(5) . . . . ?
 C22 C23 C24 C21 39.1(4) . . . . ?
 C13 Si09 C2 U1 -40.6(3) . . . . ?
 C13 Si09 C2 C1 63.2(4) . . . . ?
 C13 Si09 C2 C3 -149.6(4) . . . . ?
 C20 C19 C18 O1 -18.2(5) . . . . ?
 C12 Si09 C2 U1 80.2(3) . . . . ?
 C12 Si09 C2 C1 -176.0(4) . . . . ?
 C12 Si09 C2 C3 -28.8(5) . . . . ?
 C10 Si08 C3 U1 -42.7(3) . . . . ?
 C10 Si08 C3 C4 -146.7(4) . . . . ?
 C10 Si08 C3 C2 61.5(4) . . . . ?
 C35 C34 C33 O5 -18.0(6) . . . . ?
 C36 O5 C33 C34 35.6(10) . . . . ?
 C32 O3 C29 C30 10.9(6) . . . . ?
 C36A O5 C33 C34 4.9(11) . . . . ?
 C32A O3 C29 C30 45.6(6) . . . . ?

_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  3.197
_oxdiff_exptl_absorpt_empirical_full_min  0.382
