data_4
_audit_creation_date               2018-06-11
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_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. (2008). Acta Cryst. A64, 112-122.
;
_chemical_name_common              ?
_chemical_name_systematic
;
 ? 
;
# start Validation Reply Form
_vrf_PLAT029_4
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low . 0.945 Why?
RESPONSE: Due to crystal twinning
;
_vrf_PLAT342_4
;
PROBLEM: Low Bond Precision on C-C Bonds ............... 0.02667 Ang.
RESPONSE: Due to crystal twinning
;
# end Validation Reply Form
_chemical_formula_moiety           'C36 H78 Cr I O11 Si2'
_chemical_formula_sum              'C36 H78 Cr I O11 Si2'
_chemical_formula_weight           922.06
_chemical_melting_point            ?
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 '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'
 'Cr' 'Cr' 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'I' 'I' -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si' 'Si' 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system        'triclinic'
_space_group_IT_number             2
_space_group_name_H-M_alt          'P -1'
_space_group_name_Hall             '-P 1'
loop_
  _space_group_symop_id
  _space_group_symop_operation_xyz
 1 'x, y, z'
 2 '-x, -y, -z'

_cell_length_a                     10.4074(9)
_cell_length_b                     15.2740(14)
_cell_length_c                     17.3686(17)
_cell_angle_alpha                  114.788(5)
_cell_angle_beta                   90.356(5)
_cell_angle_gamma                  109.864(5)
_cell_volume                       2321.4(4)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      9877
_cell_measurement_temperature      99.99
_cell_measurement_theta_max        26.925
_cell_measurement_theta_min        2.284
_exptl_absorpt_coefficient_mu      1.012
_exptl_absorpt_correction_T_max    0.7454
_exptl_absorpt_correction_T_min    0.5607
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details    
 'SADABS-2014/5 (Bruker,2014/5) was used for absorption correction. wR2(int) was 0.1572 before and 0.0724 after correction. The Ratio of minimum to maximum transmission is 0.7522. The λ/2 correction factor is 0.00150.'
_exptl_crystal_colour              'clear yellow'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_primary      yellow
_exptl_crystal_density_diffrn      1.319
_exptl_crystal_density_meas        .
_exptl_crystal_density_method      'not measured'
_exptl_crystal_description         plate
_exptl_crystal_F_000               974
_exptl_crystal_size_max            0.3
_exptl_crystal_size_mid            0.2
_exptl_crystal_size_min            0.05
_exptl_special_details
;
 ? 
;
_diffrn_reflns_av_R_equivalents    0.0000
_diffrn_reflns_av_unetI/netI       0.0758
_diffrn_reflns_limit_h_max         12
_diffrn_reflns_limit_h_min         -12
_diffrn_reflns_limit_k_max         18
_diffrn_reflns_limit_k_min         -18
_diffrn_reflns_limit_l_max         20
_diffrn_reflns_limit_l_min         -17
_diffrn_reflns_number              7730
_diffrn_reflns_theta_full          25.00
_diffrn_reflns_theta_max           25.07
_diffrn_reflns_theta_min           1.31
_diffrn_ambient_temperature        99.99
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.945
_diffrn_measured_fraction_theta_max  0.937
_diffrn_measurement_device_type    'Bruker APEX-II CCD'
_diffrn_measurement_method         'φ and ω scans'
_diffrn_radiation_monochromator    'graphite'
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'fine-focus sealed tube'
_diffrn_special_details            ?
_diffrn_standards_number           0
_reflns_number_gt                  6553
_reflns_number_total               7730
_reflns_threshold_expression       >2sigma(I)
_computing_cell_refinement         'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics      'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement    'XL (Sheldrick, 2008)'
_computing_structure_solution      'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max           2.402
_refine_diff_density_min           -1.963
_refine_diff_density_rms           0.246
_refine_ls_extinction_coef         ?
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.247
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       479
_refine_ls_number_reflns           7730
_refine_ls_number_restraints       78
_refine_ls_R_factor_all            0.1163
_refine_ls_R_factor_gt             0.0977
_refine_ls_restrained_S_all        1.242
_refine_ls_shift/su_max            0.000
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'calc w=1/[σ²(Fo²)+(0.0000P)²+75.1632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.2493
_refine_ls_wR_factor_ref           0.2593
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.660(3)
 0.340(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
3. Uiso/Uaniso restraints and constraints
Uanis(C1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(O4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(O10) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C17) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C21) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C14) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C28) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C27) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.01
Uanis(C32) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(O1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.01
Uanis(C8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.001
Uanis(O8) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.001
4.a Secondary CH2 refined with riding coordinates:
 C32(H32A,H32B), C28(H28A,H28B), C25(H25A,H25B), C33(H33A,H33B), C29(H29A,
 H29B), C27(H27A,H27B), C34(H34A,H34B), C36(H36A,H36B), C35(H35A,H35B),
 C26(H26A,H26B), C30(H30A,H30B), C31(H31A,H31B)
4.b Idealised Me refined as rotating group:
 C11(H11A,H11B,H11C), C10(H10A,H10B,H10C), C20(H20A,H20B,H20C), C6(H6A,H6B,
 H6C), C7(H7A,H7B,H7C), C22(H22A,H22B,H22C), C19(H19A,H19B,H19C), C14(H14A,H14B,
 H14C), C18(H18A,H18B,H18C), C15(H15A,H15B,H15C), C12(H12A,H12B,H12C), C8(H8A,
 H8B,H8C), C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C23(H23A,H23B,H23C), C16(H16A,H16B,
 H16C), C3(H3A,H3B,H3C), C24(H24A,H24B,H24C)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       direct
_atom_sites_solution_secondary     difmap
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_calc_flag
  _atom_site_disorder_assembly
  _atom_site_disorder_group
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
 I1 I 0.53395(11) 0.01962(10) 0.28807(8) 0.0202(3) Uani 1 d . . . .
 Cr1 Cr 0.2790(2) 0.0237(2) 0.26642(16) 0.0140(5) Uani 1 d . . . .
 O11 O 0.2552(11) -0.0444(9) 0.1369(7) 0.019(2) Uani 1 d . . . .
 O9 O 0.2882(10) 0.0925(8) 0.3974(6) 0.015(2) Uani 1 d . . . .
 Si1 Si 0.1272(4) -0.2209(3) 0.2611(3) 0.0130(9) Uani 1 d . . . .
 Si2 Si 0.3979(4) 0.2564(3) 0.2519(3) 0.0130(9) Uani 1 d . . . .
 O10 O 0.0772(11) 0.0234(8) 0.2506(7) 0.019(2) Uani 1 d . . . U
 O1 O 0.1970(10) -0.1110(8) 0.2618(6) 0.010(2) Uani 1 d . . . U
 O6 O 0.5511(11) 0.3453(9) 0.3056(8) 0.022(3) Uani 1 d . . . .
 O8 O 0.2942(10) 0.3189(8) 0.2760(7) 0.014(2) Uani 1 d . . . U
 O5 O 0.3528(10) 0.1591(8) 0.2709(7) 0.015(2) Uani 1 d . . . .
 O7 O 0.3895(11) 0.2145(8) 0.1477(6) 0.014(2) Uani 1 d . . . .
 O2 O 0.0902(10) -0.2147(8) 0.3532(6) 0.011(2) Uani 1 d . . . .
 O4 O 0.2150(11) -0.2955(9) 0.2343(8) 0.021(3) Uani 1 d . . . U
 O3 O -0.0187(11) -0.2760(9) 0.1937(7) 0.019(2) Uani 1 d . . . .
 C32 C -0.0516(16) -0.0512(12) 0.2453(10) 0.017(3) Uani 1 d . . . U
 H32A H -0.0742 -0.0365 0.3036 0.021 Uiso 1 calc . . R .
 H32B H -0.0484 -0.1217 0.2184 0.021 Uiso 1 calc . . R .
 C11 C 0.279(2) -0.3016(15) 0.1006(11) 0.031(4) Uani 1 d . . . .
 H11A H 0.1836 -0.3402 0.0685 0.047 Uiso 1 calc . . GR .
 H11B H 0.3438 -0.3181 0.0615 0.047 Uiso 1 calc . . GR .
 H11C H 0.2988 -0.2267 0.1260 0.047 Uiso 1 calc . . GR .
 C13 C 0.6913(16) 0.3486(11) 0.3113(9) 0.014(3) Uani 1 d . . . .
 C10 C 0.444(2) -0.2829(17) 0.2157(16) 0.042(6) Uani 1 d . . . .
 H10A H 0.4718 -0.2071 0.2461 0.063 Uiso 1 calc . . GR .
 H10B H 0.5034 -0.3004 0.1728 0.063 Uiso 1 calc . . GR .
 H10C H 0.4535 -0.3094 0.2570 0.063 Uiso 1 calc . . GR .
 C21 C 0.2874(17) 0.4028(13) 0.3548(10) 0.019(4) Uani 1 d . . . U
 C1 C 0.1746(17) -0.2046(14) 0.4240(10) 0.020(4) Uani 1 d . . . U
 C5 C -0.1498(17) -0.3591(13) 0.1752(9) 0.021(3) Uani 1 d . . . .
 C20 C 0.4583(18) 0.3760(12) 0.1319(11) 0.022(4) Uani 1 d . . . .
 H20A H 0.4315 0.4100 0.1875 0.033 Uiso 1 calc . . GR .
 H20B H 0.4400 0.4042 0.0936 0.033 Uiso 1 calc . . GR .
 H20C H 0.5574 0.3889 0.1407 0.033 Uiso 1 calc . . GR .
 C17 C 0.3729(15) 0.2570(13) 0.0907(10) 0.017(3) Uani 1 d . . . U
 C6 C -0.119(2) -0.4622(15) 0.1476(12) 0.033(4) Uani 1 d . . . .
 H6A H -0.0699 -0.4723 0.0987 0.050 Uiso 1 calc . . GR .
 H6B H -0.2073 -0.5219 0.1309 0.050 Uiso 1 calc . . GR .
 H6C H -0.0623 -0.4560 0.1961 0.050 Uiso 1 calc . . GR .
 C28 C 0.4008(16) 0.1863(13) 0.4585(10) 0.021(4) Uani 1 d . . . U
 H28A H 0.4298 0.2394 0.4369 0.025 Uiso 1 calc . . R .
 H28B H 0.4820 0.1704 0.4690 0.025 Uiso 1 calc . . R .
 C25 C 0.1711(16) 0.0645(15) 0.4378(10) 0.022(4) Uani 1 d . . . .
 H25A H 0.1325 -0.0114 0.4194 0.026 Uiso 1 calc . . R .
 H25B H 0.0974 0.0851 0.4233 0.026 Uiso 1 calc . . R .
 C33 C 0.1288(16) -0.1305(15) 0.0766(11) 0.024(4) Uani 1 d . . . .
 H33A H 0.0939 -0.1852 0.0962 0.029 Uiso 1 calc . . R .
 H33B H 0.0550 -0.1039 0.0745 0.029 Uiso 1 calc . . R .
 C7 C -0.2189(18) -0.3360(15) 0.2532(11) 0.029(4) Uani 1 d . . . .
 H7A H -0.1582 -0.3263 0.3018 0.043 Uiso 1 calc . . GR .
 H7B H -0.3070 -0.3942 0.2408 0.043 Uiso 1 calc . . GR .
 H7C H -0.2367 -0.2723 0.2677 0.043 Uiso 1 calc . . GR .
 C22 C 0.1410(18) 0.4012(16) 0.3422(13) 0.032(5) Uani 1 d . . . .
 H22A H 0.1208 0.4000 0.2865 0.048 Uiso 1 calc . . GR .
 H22B H 0.1345 0.4635 0.3885 0.048 Uiso 1 calc . . GR .
 H22C H 0.0737 0.3389 0.3435 0.048 Uiso 1 calc . . GR .
 C29 C 0.0511(18) 0.0940(15) 0.2257(12) 0.032(4) Uani 1 d . . . .
 H29A H 0.0871 0.0893 0.1720 0.038 Uiso 1 calc . . R .
 H29B H 0.0973 0.1663 0.2714 0.038 Uiso 1 calc . . R .
 C19 C 0.2222(18) 0.2357(15) 0.0695(12) 0.027(4) Uani 1 d . . . .
 H19A H 0.1688 0.1606 0.0445 0.041 Uiso 1 calc . . GR .
 H19B H 0.2098 0.2615 0.0281 0.041 Uiso 1 calc . . GR .
 H19C H 0.1894 0.2712 0.1222 0.041 Uiso 1 calc . . GR .
 C27 C 0.3402(17) 0.2240(14) 0.5402(10) 0.023(4) Uani 1 d . . . U
 H27A H 0.4119 0.2572 0.5922 0.028 Uiso 1 calc . . R .
 H27B H 0.2991 0.2743 0.5419 0.028 Uiso 1 calc . . R .
 C14 C 0.7058(18) 0.2679(15) 0.2295(11) 0.025(4) Uani 1 d . . . U
 H14A H 0.6430 0.1988 0.2208 0.037 Uiso 1 calc . . GR .
 H14B H 0.8017 0.2717 0.2327 0.037 Uiso 1 calc . . GR .
 H14C H 0.6821 0.2803 0.1812 0.037 Uiso 1 calc . . GR .
 C18 C 0.4272(17) 0.2019(15) 0.0105(10) 0.022(4) Uani 1 d . . . .
 H18A H 0.5243 0.2138 0.0264 0.033 Uiso 1 calc . . GR .
 H18B H 0.4206 0.2294 -0.0306 0.033 Uiso 1 calc . . GR .
 H18C H 0.3716 0.1270 -0.0160 0.033 Uiso 1 calc . . GR .
 C34 C 0.1669(17) -0.1739(15) -0.0099(10) 0.022(4) Uani 1 d . . . .
 H34A H 0.0877 -0.2012 -0.0563 0.027 Uiso 1 calc . . R .
 H34B H 0.2010 -0.2298 -0.0180 0.027 Uiso 1 calc . . R .
 C15 C 0.7227(18) 0.3330(15) 0.3888(11) 0.028(4) Uani 1 d . . . .
 H15A H 0.7034 0.3837 0.4399 0.041 Uiso 1 calc . . GR .
 H15B H 0.8207 0.3428 0.3977 0.041 Uiso 1 calc . . GR .
 H15C H 0.6643 0.2623 0.3789 0.041 Uiso 1 calc . . GR .
 C12 C 0.242(2) -0.4483(14) 0.1384(11) 0.030(4) Uani 1 d . . . .
 H12A H 0.2574 -0.4643 0.1860 0.046 Uiso 1 calc . . GR .
 H12B H 0.2924 -0.4774 0.0931 0.046 Uiso 1 calc . . GR .
 H12C H 0.1427 -0.4789 0.1151 0.046 Uiso 1 calc . . GR .
 C8 C -0.2348(17) -0.3700(14) 0.0988(11) 0.026(4) Uani 1 d . . . U
 H8A H -0.2591 -0.3086 0.1154 0.039 Uiso 1 calc . . GR .
 H8B H -0.3198 -0.4325 0.0791 0.039 Uiso 1 calc . . GR .
 H8C H -0.1807 -0.3758 0.0521 0.039 Uiso 1 calc . . GR .
 C2 C 0.3229(17) -0.1207(14) 0.4410(11) 0.025(4) Uani 1 d . . . U
 H2A H 0.3740 -0.1490 0.3959 0.037 Uiso 1 calc . . GR .
 H2B H 0.3726 -0.1016 0.4973 0.037 Uiso 1 calc . . GR .
 H2C H 0.3150 -0.0588 0.4405 0.037 Uiso 1 calc . . GR .
 C36 C 0.3609(16) -0.0237(14) 0.0850(10) 0.021(4) Uani 1 d . . . .
 H36A H 0.4312 -0.0526 0.0893 0.025 Uiso 1 calc . . R .
 H36B H 0.4082 0.0521 0.1043 0.025 Uiso 1 calc . . R .
 C4 C 0.1098(18) -0.1629(15) 0.5040(10) 0.025(4) Uani 1 d . . . .
 H4A H 0.1045 -0.0967 0.5124 0.037 Uiso 1 calc . . GR .
 H4B H 0.1673 -0.1518 0.5547 0.037 Uiso 1 calc . . GR .
 H4C H 0.0163 -0.2134 0.4961 0.037 Uiso 1 calc . . GR .
 C23 C 0.3909(18) 0.5055(15) 0.3651(13) 0.030(4) Uani 1 d . . . .
 H23A H 0.4851 0.5073 0.3735 0.046 Uiso 1 calc . . GR .
 H23B H 0.3797 0.5623 0.4151 0.046 Uiso 1 calc . . GR .
 H23C H 0.3754 0.5138 0.3132 0.046 Uiso 1 calc . . GR .
 C16 C 0.7837(17) 0.4563(14) 0.3256(11) 0.025(4) Uani 1 d . . . .
 H16A H 0.7604 0.4675 0.2766 0.038 Uiso 1 calc . . GR .
 H16B H 0.8808 0.4632 0.3310 0.038 Uiso 1 calc . . GR .
 H16C H 0.7698 0.5081 0.3785 0.038 Uiso 1 calc . . GR .
 C35 C 0.2834(18) -0.0772(16) -0.0067(12) 0.030(4) Uani 1 d . . . .
 H35A H 0.3443 -0.0971 -0.0488 0.036 Uiso 1 calc . . R .
 H35B H 0.2450 -0.0319 -0.0182 0.036 Uiso 1 calc . . R .
 C3 C 0.1801(19) -0.3046(15) 0.4113(12) 0.030(4) Uani 1 d . . . .
 H3A H 0.0857 -0.3552 0.4010 0.045 Uiso 1 calc . . GR .
 H3B H 0.2337 -0.2948 0.4629 0.045 Uiso 1 calc . . GR .
 H3C H 0.2247 -0.3305 0.3616 0.045 Uiso 1 calc . . GR .
 C26 C 0.2294(18) 0.1245(14) 0.5337(11) 0.027(4) Uani 1 d . . . .
 H26A H 0.2702 0.0859 0.5532 0.032 Uiso 1 calc . . R .
 H26B H 0.1571 0.1395 0.5679 0.032 Uiso 1 calc . . R .
 C24 C 0.313(2) 0.3847(16) 0.4310(12) 0.032(4) Uani 1 d . . . .
 H24A H 0.2477 0.3161 0.4216 0.048 Uiso 1 calc . . GR .
 H24B H 0.3006 0.4386 0.4829 0.048 Uiso 1 calc . . GR .
 H24C H 0.4083 0.3877 0.4382 0.048 Uiso 1 calc . . GR .
 C9 C 0.2942(18) -0.3321(13) 0.1710(11) 0.024(4) Uani 1 d . . . .
 C30 C -0.103(2) 0.0644(17) 0.2117(16) 0.042(5) Uani 1 d . . . .
 H30A H -0.1331 0.1063 0.2638 0.051 Uiso 1 calc . . R .
 H30B H -0.1345 0.0733 0.1625 0.051 Uiso 1 calc . . R .
 C31 C -0.1559(19) -0.0459(17) 0.1933(12) 0.036(5) Uani 1 d . . . .
 H31A H -0.2477 -0.0665 0.2106 0.043 Uiso 1 calc . . R .
 H31B H -0.1639 -0.0913 0.1313 0.043 Uiso 1 calc . . R .


_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
 I1 Cr1 2.703(2) . ?
 Cr1 O11 2.014(11) . ?
 Cr1 O9 2.052(10) . ?
 Cr1 O10 2.114(11) . ?
 Cr1 O1 1.906(10) . ?
 Cr1 O5 1.912(11) . ?
 O11 C33 1.49(2) . ?
 O11 C36 1.463(19) . ?
 O9 C28 1.456(19) . ?
 O9 C25 1.438(18) . ?
 Si1 O1 1.582(10) . ?
 Si1 O2 1.618(10) . ?
 Si1 O4 1.617(11) . ?
 Si1 O3 1.634(11) . ?
 Si2 O6 1.645(12) . ?
 Si2 O8 1.619(10) . ?
 Si2 O5 1.575(11) . ?
 Si2 O7 1.637(11) . ?
 O10 C32 1.405(19) . ?
 O10 C29 1.42(2) . ?
 O6 C13 1.444(19) . ?
 O8 C21 1.453(18) . ?
 O7 C17 1.431(17) . ?
 O2 C1 1.429(19) . ?
 O4 C9 1.418(19) . ?
 O3 C5 1.433(19) . ?
 C32 C31 1.45(2) . ?
 C11 C9 1.50(2) . ?
 C13 C14 1.49(2) . ?
 C13 C15 1.51(2) . ?
 C13 C16 1.51(2) . ?
 C10 C9 1.52(3) . ?
 C21 C22 1.53(2) . ?
 C21 C23 1.51(2) . ?
 C21 C24 1.50(2) . ?
 C1 C2 1.56(2) . ?
 C1 C4 1.53(2) . ?
 C1 C3 1.47(2) . ?
 C5 C6 1.59(2) . ?
 C5 C7 1.50(2) . ?
 C5 C8 1.51(2) . ?
 C20 C17 1.55(2) . ?
 C17 C19 1.50(2) . ?
 C17 C18 1.52(2) . ?
 C28 C27 1.52(2) . ?
 C25 C26 1.52(2) . ?
 C33 C34 1.48(2) . ?
 C29 C30 1.50(3) . ?
 C27 C26 1.52(2) . ?
 C34 C35 1.54(3) . ?
 C12 C9 1.51(2) . ?
 C36 C35 1.52(2) . ?
 C30 C31 1.47(3) . ?

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
 O11 Cr1 I1 93.8(3) . . ?
 O11 Cr1 O9 175.7(4) . . ?
 O11 Cr1 O10 86.7(4) . . ?
 O9 Cr1 I1 90.5(3) . . ?
 O9 Cr1 O10 89.0(4) . . ?
 O10 Cr1 I1 178.3(3) . . ?
 O1 Cr1 I1 90.0(3) . . ?
 O1 Cr1 O11 88.9(4) . . ?
 O1 Cr1 O9 90.7(4) . . ?
 O1 Cr1 O10 88.4(4) . . ?
 O1 Cr1 O5 177.3(4) . . ?
 O5 Cr1 I1 92.6(3) . . ?
 O5 Cr1 O11 91.2(5) . . ?
 O5 Cr1 O9 89.0(4) . . ?
 O5 Cr1 O10 89.0(4) . . ?
 C33 O11 Cr1 126.0(9) . . ?
 C36 O11 Cr1 126.7(9) . . ?
 C36 O11 C33 107.2(11) . . ?
 C28 O9 Cr1 125.1(9) . . ?
 C25 O9 Cr1 122.7(9) . . ?
 C25 O9 C28 111.3(12) . . ?
 O1 Si1 O2 114.0(6) . . ?
 O1 Si1 O4 116.9(6) . . ?
 O1 Si1 O3 103.9(6) . . ?
 O2 Si1 O3 107.7(6) . . ?
 O4 Si1 O2 103.5(6) . . ?
 O4 Si1 O3 110.6(6) . . ?
 O8 Si2 O6 104.5(6) . . ?
 O8 Si2 O7 104.4(5) . . ?
 O5 Si2 O6 113.7(6) . . ?
 O5 Si2 O8 113.9(6) . . ?
 O5 Si2 O7 108.0(6) . . ?
 O7 Si2 O6 112.1(6) . . ?
 C32 O10 Cr1 129.6(9) . . ?
 C32 O10 C29 107.7(12) . . ?
 C29 O10 Cr1 121.6(10) . . ?
 Si1 O1 Cr1 177.9(7) . . ?
 C13 O6 Si2 135.8(10) . . ?
 C21 O8 Si2 132.9(10) . . ?
 Si2 O5 Cr1 166.7(7) . . ?
 C17 O7 Si2 133.0(10) . . ?
 C1 O2 Si1 129.7(9) . . ?
 C9 O4 Si1 140.5(11) . . ?
 C5 O3 Si1 137.4(10) . . ?
 O10 C32 C31 107.9(14) . . ?
 O6 C13 C14 109.6(12) . . ?
 O6 C13 C15 108.0(13) . . ?
 O6 C13 C16 106.1(12) . . ?
 C14 C13 C15 112.6(13) . . ?
 C14 C13 C16 110.9(13) . . ?
 C16 C13 C15 109.4(13) . . ?
 O8 C21 C22 105.3(14) . . ?
 O8 C21 C23 109.8(13) . . ?
 O8 C21 C24 110.4(13) . . ?
 C23 C21 C22 109.0(15) . . ?
 C24 C21 C22 111.3(15) . . ?
 C24 C21 C23 110.9(15) . . ?
 O2 C1 C2 109.9(13) . . ?
 O2 C1 C4 107.0(12) . . ?
 O2 C1 C3 112.4(14) . . ?
 C4 C1 C2 106.7(14) . . ?
 C3 C1 C2 111.7(14) . . ?
 C3 C1 C4 109.0(14) . . ?
 O3 C5 C6 106.8(13) . . ?
 O3 C5 C7 109.8(13) . . ?
 O3 C5 C8 107.3(13) . . ?
 C7 C5 C6 112.1(14) . . ?
 C7 C5 C8 112.4(15) . . ?
 C8 C5 C6 108.2(13) . . ?
 O7 C17 C20 111.0(12) . . ?
 O7 C17 C19 109.2(13) . . ?
 O7 C17 C18 105.8(12) . . ?
 C19 C17 C20 110.0(14) . . ?
 C19 C17 C18 111.0(13) . . ?
 C18 C17 C20 109.8(13) . . ?
 O9 C28 C27 104.5(13) . . ?
 O9 C25 C26 104.4(13) . . ?
 C34 C33 O11 107.9(13) . . ?
 O10 C29 C30 107.0(15) . . ?
 C26 C27 C28 103.3(14) . . ?
 C33 C34 C35 101.3(15) . . ?
 O11 C36 C35 105.5(12) . . ?
 C36 C35 C34 102.7(14) . . ?
 C25 C26 C27 102.2(13) . . ?
 O4 C9 C11 109.9(14) . . ?
 O4 C9 C10 107.1(14) . . ?
 O4 C9 C12 106.6(13) . . ?
 C11 C9 C10 110.8(16) . . ?
 C11 C9 C12 112.4(15) . . ?
 C12 C9 C10 109.9(15) . . ?
 C31 C30 C29 102.7(16) . . ?
 C32 C31 C30 103.2(15) . . ?


_olex2_submission_special_instructions  'No special instructions were received'
loop_
  _twin_individual_id
  _twin_individual_mass_fraction_refined
 1 0.660(3)
 2 0.340(3)

