#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:50:34 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178584 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/95/4069519.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4069519
loop_
_publ_author_name
'Prabhu, M. Santhana Raj'
'Jami, Ananda Kumar'
'Baskar, Viswanathan'
_publ_section_title
;
 Organoantimony(V) Oxido Cubane Cluster [(p-X-C6H4Sb)4(O)4(Ph2SiO2)4] (X =
 Cl, Br) Stabilized by Diphenyldisiloxides
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3953
_journal_paper_doi               10.1021/om900244t
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C72 H76 Br4 O22 Sb4 Si4'
_chemical_formula_sum            'C72 H76 Br4 O22 Sb4 Si4'
_chemical_formula_weight         2212.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.458(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.949(4)
_cell_length_b                   15.262(3)
_cell_length_c                   24.924(4)
_cell_measurement_reflns_used    6731
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.05
_cell_measurement_theta_min      2.60
_cell_volume                     8833(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0253
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            41898
_diffrn_reflns_theta_full        25.11
_diffrn_reflns_theta_max         25.11
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    3.139
_exptl_absorpt_correction_T_max  0.8588
_exptl_absorpt_correction_T_min  0.3389
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABAS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             4336
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.684
_refine_diff_density_min         -0.638
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         7857
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0647
_refine_ls_R_factor_gt           0.0511
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1234P)²+16.7607P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1691
_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                6201
_reflns_number_total             7857
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900244t_si_002.cif
_cod_data_source_block           for_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_database_code               4069519
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sb1 Sb 1.026867(18) 0.04197(3) 0.319605(17) 0.05037(17) Uani 1 1 d .
Sb2 Sb 0.936991(17) 0.19643(3) 0.254332(17) 0.04992(17) Uani 1 1 d .
Si1 Si 0.93277(8) 0.11119(14) 0.37247(8) 0.0604(5) Uani 1 1 d .
Si2 Si 1.0000 0.38235(17) 0.2500 0.0600(6) Uani 1 2 d S
Si3 Si 1.0000 -0.14399(17) 0.2500 0.0603(6) Uani 1 2 d S
Br2 Br 0.66517(5) 0.21671(11) 0.06112(6) 0.1372(5) Uani 1 1 d .
Br1 Br 1.29079(4) 0.02597(9) 0.52758(5) 0.1160(4) Uani 1 1 d .
C1 C 1.1089(3) 0.0403(4) 0.3839(3) 0.0565(16) Uani 1 1 d .
C2 C 1.1162(3) 0.0661(5) 0.4393(3) 0.0691(18) Uani 1 1 d .
H2 H 1.0850 0.0853 0.4481 0.083 Uiso 1 1 calc R
C3 C 1.1710(4) 0.0629(6) 0.4816(3) 0.083(2) Uani 1 1 d .
H3 H 1.1769 0.0827 0.5186 0.100 Uiso 1 1 calc R
C4 C 1.2161(3) 0.0307(6) 0.4690(4) 0.078(2) Uani 1 1 d .
C5 C 1.2091(3) 0.0051(6) 0.4156(4) 0.077(2) Uani 1 1 d .
H5 H 1.2407 -0.0155 0.4079 0.092 Uiso 1 1 calc R
C6 C 1.1563(3) 0.0088(5) 0.3720(3) 0.0660(18) Uani 1 1 d .
H6 H 1.1518 -0.0092 0.3350 0.079 Uiso 1 1 calc R
C7 C 0.8679(3) 0.0422(5) 0.3594(3) 0.0686(19) Uani 1 1 d .
C8 C 0.8653(5) -0.0434(6) 0.3412(5) 0.104(3) Uani 1 1 d .
H8 H 0.8972 -0.0690 0.3365 0.125 Uiso 1 1 calc R
C9 C 0.8153(7) -0.0915(10) 0.3299(7) 0.144(5) Uani 1 1 d .
H9 H 0.8141 -0.1489 0.3169 0.173 Uiso 1 1 calc R
C10 C 0.7703(6) -0.0598(10) 0.3366(6) 0.126(4) Uani 1 1 d .
H10 H 0.7383 -0.0952 0.3303 0.151 Uiso 1 1 calc R
C11 C 0.7694(5) 0.0237(10) 0.3525(5) 0.114(4) Uani 1 1 d .
H11 H 0.7362 0.0477 0.3551 0.137 Uiso 1 1 calc R
C12 C 0.8197(4) 0.0749(7) 0.3654(5) 0.098(3) Uani 1 1 d .
H12 H 0.8199 0.1322 0.3783 0.117 Uiso 1 1 calc R
C13 C 0.9587(4) 0.1673(6) 0.4444(3) 0.075(2) Uani 1 1 d .
C14 C 0.9553(7) 0.1288(10) 0.4928(4) 0.147(5) Uani 1 1 d .
H14 H 0.9363 0.0754 0.4891 0.176 Uiso 1 1 calc R
C15 C 0.9789(9) 0.1662(13) 0.5465(6) 0.171(7) Uani 1 1 d .
H15 H 0.9784 0.1364 0.5789 0.206 Uiso 1 1 calc R
C16 C 1.0019(9) 0.2433(15) 0.5516(6) 0.172(7) Uani 1 1 d .
H16 H 1.0139 0.2711 0.5872 0.206 Uiso 1 1 calc R
C17 C 1.0090(6) 0.2840(10) 0.5074(6) 0.142(5) Uani 1 1 d .
H17 H 1.0283 0.3374 0.5127 0.170 Uiso 1 1 calc R
C18 C 0.9866(5) 0.2444(8) 0.4517(4) 0.111(3) Uani 1 1 d .
H18 H 0.9912 0.2719 0.4205 0.133 Uiso 1 1 calc R
C19 C 0.8528(3) 0.2017(5) 0.1936(3) 0.0586(16) Uani 1 1 d .
C20 C 0.8087(3) 0.1639(6) 0.2073(3) 0.076(2) Uani 1 1 d .
H20 H 0.8160 0.1351 0.2421 0.092 Uiso 1 1 calc R
C21 C 0.7513(3) 0.1714(7) 0.1653(5) 0.095(3) Uani 1 1 d .
H21 H 0.7203 0.1488 0.1731 0.114 Uiso 1 1 calc R
C22 C 0.7424(4) 0.2114(6) 0.1142(4) 0.089(3) Uani 1 1 d .
C23 C 0.7855(4) 0.2466(6) 0.1009(4) 0.085(2) Uani 1 1 d .
H23 H 0.7780 0.2740 0.0655 0.102 Uiso 1 1 calc R
C24 C 0.8414(3) 0.2412(5) 0.1412(3) 0.0727(19) Uani 1 1 d .
H24 H 0.8715 0.2648 0.1325 0.087 Uiso 1 1 calc R
C25 C 1.0295(3) 0.4508(5) 0.3154(3) 0.0674(19) Uani 1 1 d .
C26 C 1.0202(7) 0.4312(11) 0.3630(6) 0.162(7) Uani 1 1 d .
H26 H 0.9992 0.3816 0.3647 0.195 Uiso 1 1 calc R
C27 C 1.0441(9) 0.4898(16) 0.4135(7) 0.198(9) Uani 1 1 d .
H27 H 1.0376 0.4758 0.4469 0.237 Uiso 1 1 calc R
C28 C 1.0730(5) 0.5585(10) 0.4133(6) 0.121(5) Uani 1 1 d .
H28 H 1.0884 0.5934 0.4459 0.145 Uiso 1 1 calc R
C29 C 1.0799(7) 0.5769(9) 0.3673(7) 0.161(7) Uani 1 1 d .
H29 H 1.0989 0.6287 0.3658 0.193 Uiso 1 1 calc R
C30 C 1.0608(6) 0.5245(8) 0.3184(5) 0.135(5) Uani 1 1 d .
H30 H 1.0697 0.5405 0.2866 0.162 Uiso 1 1 calc R
C31 C 1.0612(4) -0.2146(5) 0.2511(4) 0.074(2) Uani 1 1 d .
C32 C 1.1140(6) -0.2108(8) 0.2950(6) 0.134(5) Uani 1 1 d .
H32 H 1.1213 -0.1734 0.3263 0.161 Uiso 1 1 calc R
C33 C 1.1570(7) -0.2683(13) 0.2894(10) 0.173(7) Uani 1 1 d .
H33 H 1.1939 -0.2621 0.3168 0.207 Uiso 1 1 calc R
C34 C 1.1510(8) -0.3228(13) 0.2540(8) 0.153(7) Uani 1 1 d .
H34 H 1.1809 -0.3602 0.2554 0.184 Uiso 1 1 calc R
C35 C 1.1000(9) -0.3280(11) 0.2124(6) 0.165(7) Uani 1 1 d .
H35 H 1.0950 -0.3664 0.1820 0.198 Uiso 1 1 calc R
C36 C 1.0530(6) -0.2779(9) 0.2124(5) 0.126(4) Uani 1 1 d .
H36 H 1.0164 -0.2888 0.1855 0.151 Uiso 1 1 calc R
O1 O 1.02277(17) 0.1799(3) 0.30629(18) 0.0491(9) Uani 1 1 d .
O2 O 1.05185(17) 0.0582(3) 0.24849(17) 0.0479(9) Uani 1 1 d .
O3 O 0.9849(2) 0.0494(3) 0.3705(2) 0.0630(12) Uani 1 1 d .
O4 O 0.9184(2) 0.1868(3) 0.3225(2) 0.0600(11) Uani 1 1 d .
O5 O 0.9498(2) 0.3205(3) 0.2575(2) 0.0655(12) Uani 1 1 d .
O6 O 1.0197(2) -0.0830(3) 0.30759(19) 0.0638(12) Uani 1 1 d .
O7 O 0.3806(4) 0.9791(8) 0.4082(4) 0.165(4) Uani 1 1 d .
O8 O 0.6654(10) 0.9383(12) 0.2008(5) 0.291(11) Uani 1 1 d .
O9 O 0.1695(6) 0.3336(7) 0.0943(8) 0.221(7) Uani 1 1 d .
O10 O 0.6869(15) 0.8495(16) 0.1685(9) 0.44(2) Uani 1 1 d .
O11 O 0.7988(11) 0.2299(16) 0.5327(15) 0.52(3) Uani 1 1 d .
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'
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O3 Sb1 O6 96.8(2) . .
O3 Sb1 C1 96.4(2) . .
O6 Sb1 C1 96.7(2) . .
O3 Sb1 O2 87.25(19) . 2_755
O6 Sb1 O2 89.12(18) . 2_755
C1 Sb1 O2 172.7(2) . 2_755
O3 Sb1 O2 162.42(18) . .
O6 Sb1 O2 91.42(18) . .
C1 Sb1 O2 98.0(2) . .
O2 Sb1 O2 77.35(18) 2_755 .
O3 Sb1 O1 92.16(18) . .
O6 Sb1 O1 163.28(18) . .
C1 Sb1 O1 96.3(2) . .
O2 Sb1 O1 77.22(16) 2_755 .
O2 Sb1 O1 76.34(16) . .
O3 Sb1 Sb1 126.67(15) . 2_755
O6 Sb1 Sb1 81.65(13) . 2_755
C1 Sb1 Sb1 136.9(2) . 2_755
O2 Sb1 Sb1 39.61(11) 2_755 2_755
O2 Sb1 Sb1 39.38(11) . 2_755
O1 Sb1 Sb1 81.67(11) . 2_755
O3 Sb1 Sb2 81.07(14) . .
O6 Sb1 Sb2 129.17(14) . .
C1 Sb1 Sb2 134.12(18) . .
O2 Sb1 Sb2 40.15(11) 2_755 .
O2 Sb1 Sb2 81.68(11) . .
O1 Sb1 Sb2 38.68(11) . .
Sb1 Sb1 Sb2 61.513(12) 2_755 .
O3 Sb1 Sb2 130.55(14) . 2_755
O6 Sb1 Sb2 130.23(14) . 2_755
C1 Sb1 Sb2 92.62(19) . 2_755
O2 Sb1 Sb2 80.22(11) 2_755 2_755
O2 Sb1 Sb2 38.81(11) . 2_755
O1 Sb1 Sb2 38.45(11) . 2_755
Sb1 Sb1 Sb2 59.540(14) 2_755 2_755
Sb2 Sb1 Sb2 58.933(18) . 2_755
O5 Sb2 O4 97.4(2) . .
O5 Sb2 O1 88.57(19) . .
O4 Sb2 O1 88.08(19) . .
O5 Sb2 C19 95.8(2) . .
O4 Sb2 C19 98.0(2) . .
O1 Sb2 C19 172.0(2) . .
O5 Sb2 O1 91.79(19) . 2_755
O4 Sb2 O1 162.53(18) . 2_755
O1 Sb2 O1 77.30(18) . 2_755
C19 Sb2 O1 95.8(2) . 2_755
O5 Sb2 O2 163.04(19) . 2_755
O4 Sb2 O2 91.75(17) . 2_755
O1 Sb2 O2 77.47(16) . 2_755
C19 Sb2 O2 97.0(2) . 2_755
O1 Sb2 O2 75.92(16) 2_755 2_755
O5 Sb2 Sb2 81.40(14) . 2_755
O4 Sb2 Sb2 127.91(15) . 2_755
O1 Sb2 Sb2 39.96(11) . 2_755
C19 Sb2 Sb2 134.03(19) . 2_755
O1 Sb2 Sb2 39.03(11) 2_755 2_755
O2 Sb2 Sb2 81.71(11) 2_755 2_755
O5 Sb2 Sb1 128.41(15) . .
O4 Sb2 Sb1 81.25(14) . .
O1 Sb2 Sb1 39.94(12) . .
C19 Sb2 Sb1 135.70(19) . .
O1 Sb2 Sb1 81.39(11) 2_755 .
O2 Sb2 Sb1 39.14(11) 2_755 .
Sb2 Sb2 Sb1 61.520(14) 2_755 .
O5 Sb2 Sb1 130.55(15) . 2_755
O4 Sb2 Sb1 129.77(14) . 2_755
O1 Sb2 Sb1 80.34(12) . 2_755
C19 Sb2 Sb1 91.71(18) . 2_755
O1 Sb2 Sb1 38.78(12) 2_755 2_755
O2 Sb2 Sb1 38.06(11) 2_755 2_755
Sb2 Sb2 Sb1 59.546(12) 2_755 2_755
Sb1 Sb2 Sb1 58.946(18) . 2_755
O3 Si1 O4 110.0(3) . .
O3 Si1 C7 108.8(3) . .
O4 Si1 C7 109.4(3) . .
O3 Si1 C13 107.1(3) . .
O4 Si1 C13 107.9(3) . .
C7 Si1 C13 113.6(4) . .
O5 Si2 O5 109.3(4) . 2_755
O5 Si2 C25 107.5(3) . .
O5 Si2 C25 110.7(3) 2_755 .
O5 Si2 C25 110.7(3) . 2_755
O5 Si2 C25 107.5(3) 2_755 2_755
C25 Si2 C25 111.1(5) . 2_755
O6 Si3 O6 110.3(4) 2_755 .
O6 Si3 C31 109.7(3) 2_755 2_755
O6 Si3 C31 109.0(3) . 2_755
O6 Si3 C31 109.0(3) 2_755 .
O6 Si3 C31 109.7(3) . .
C31 Si3 C31 109.2(5) 2_755 .
C2 C1 C6 119.6(6) . .
C2 C1 Sb1 119.8(5) . .
C6 C1 Sb1 120.4(5) . .
C1 C2 C3 118.8(7) . .
C1 C2 H2 120.6 . .
C3 C2 H2 120.6 . .
C4 C3 C2 120.2(8) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C5 C4 C3 121.1(8) . .
C5 C4 Br1 119.2(7) . .
C3 C4 Br1 119.7(7) . .
C4 C5 C6 121.0(8) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
C5 C6 C1 119.2(7) . .
C5 C6 H6 120.4 . .
C1 C6 H6 120.4 . .
C12 C7 C8 116.7(8) . .
C12 C7 Si1 121.5(7) . .
C8 C7 Si1 121.8(7) . .
C7 C8 C9 119.9(11) . .
C7 C8 H8 120.0 . .
C9 C8 H8 120.0 . .
C10 C9 C8 122.6(14) . .
C10 C9 H9 118.7 . .
C8 C9 H9 118.7 . .
C9 C10 C11 120.4(12) . .
C9 C10 H10 119.8 . .
C11 C10 H10 119.8 . .
C10 C11 C12 119.0(12) . .
C10 C11 H11 120.5 . .
C12 C11 H11 120.5 . .
C7 C12 C11 121.3(11) . .
C7 C12 H12 119.3 . .
C11 C12 H12 119.3 . .
C18 C13 C14 116.7(10) . .
C18 C13 Si1 120.7(7) . .
C14 C13 Si1 122.3(8) . .
C13 C14 C15 122.5(14) . .
C13 C14 H14 118.8 . .
C15 C14 H14 118.8 . .
C16 C15 C14 119.3(14) . .
C16 C15 H15 120.4 . .
C14 C15 H15 120.4 . .
C15 C16 C17 122.2(14) . .
C15 C16 H16 118.9 . .
C17 C16 H16 118.9 . .
C16 C17 C18 118.8(14) . .
C16 C17 H17 120.6 . .
C18 C17 H17 120.6 . .
C13 C18 C17 120.3(12) . .
C13 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C24 C19 C20 120.5(7) . .
C24 C19 Sb2 120.7(5) . .
C20 C19 Sb2 118.8(5) . .
C19 C20 C21 117.1(8) . .
C19 C20 H20 121.5 . .
C21 C20 H20 121.5 . .
C22 C21 C20 119.9(8) . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C23 C22 C21 122.6(8) . .
C23 C22 Br2 120.6(8) . .
C21 C22 Br2 116.7(8) . .
C22 C23 C24 118.5(8) . .
C22 C23 H23 120.8 . .
C24 C23 H23 120.8 . .
C19 C24 C23 121.3(8) . .
C19 C24 H24 119.3 . .
C23 C24 H24 119.3 . .
C26 C25 C30 115.1(9) . .
C26 C25 Si2 121.3(7) . .
C30 C25 Si2 123.6(7) . .
C25 C26 C27 118.5(13) . .
C25 C26 H26 120.7 . .
C27 C26 H26 120.7 . .
C28 C27 C26 123.1(14) . .
C28 C27 H27 118.4 . .
C26 C27 H27 118.4 . .
C29 C28 C27 117.1(13) . .
C29 C28 H28 121.4 . .
C27 C28 H28 121.4 . .
C28 C29 C30 123.9(14) . .
C28 C29 H29 118.1 . .
C30 C29 H29 118.1 . .
C25 C30 C29 122.2(13) . .
C25 C30 H30 118.9 . .
C29 C30 H30 118.9 . .
C36 C31 C32 117.2(10) . .
C36 C31 Si3 120.3(8) . .
C32 C31 Si3 122.1(8) . .
C31 C32 C33 115.6(14) . .
C31 C32 H32 122.2 . .
C33 C32 H32 122.2 . .
C34 C33 C32 127.6(18) . .
C34 C33 H33 116.2 . .
C32 C33 H33 116.2 . .
C33 C34 C35 116.9(15) . .
C33 C34 H34 121.6 . .
C35 C34 H34 121.6 . .
C34 C35 C36 122.3(14) . .
C34 C35 H35 118.8 . .
C36 C35 H35 118.8 . .
C31 C36 C35 119.5(14) . .
C31 C36 H36 120.2 . .
C35 C36 H36 120.2 . .
Sb2 O1 Sb2 101.01(18) . 2_755
Sb2 O1 Sb1 101.38(18) . .
Sb2 O1 Sb1 102.77(17) 2_755 .
Sb1 O2 Sb1 101.01(17) 2_755 .
Sb1 O2 Sb2 100.70(17) 2_755 2_755
Sb1 O2 Sb2 103.13(17) . 2_755
Si1 O3 Sb1 133.7(3) . .
Si1 O4 Sb2 131.9(3) . .
Si2 O5 Sb2 133.7(3) . .
Si3 O6 Sb1 133.1(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 O3 1.921(4) .
Sb1 O6 1.930(5) .
Sb1 C1 2.088(7) .
Sb1 O2 2.088(4) 2_755
Sb1 O2 2.098(4) .
Sb1 O1 2.128(4) .
Sb1 Sb1 3.2300(9) 2_755
Sb1 Sb2 3.2500(7) .
Sb1 Sb2 3.3139(7) 2_755
Sb2 O5 1.917(5) .
Sb2 O4 1.925(4) .
Sb2 O1 2.072(4) .
Sb2 C19 2.093(7) .
Sb2 O1 2.113(4) 2_755
Sb2 O2 2.133(4) 2_755
Sb2 Sb2 3.2294(10) 2_755
Sb2 Sb1 3.3138(7) 2_755
Si1 O3 1.622(5) .
Si1 O4 1.638(5) .
Si1 C7 1.857(8) .
Si1 C13 1.874(8) .
Si2 O5 1.632(5) .
Si2 O5 1.632(5) 2_755
Si2 C25 1.846(8) .
Si2 C25 1.846(8) 2_755
Si3 O6 1.628(5) 2_755
Si3 O6 1.628(5) .
Si3 C31 1.860(8) 2_755
Si3 C31 1.860(8) .
Br2 C22 1.898(8) .
Br1 C4 1.902(8) .
C1 C2 1.383(10) .
C1 C6 1.405(10) .
C2 C3 1.387(11) .
C2 H2 0.9300 .
C3 C4 1.366(12) .
C3 H3 0.9300 .
C4 C5 1.337(12) .
C5 C6 1.368(10) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C12 1.358(12) .
C7 C8 1.378(12) .
C8 C9 1.385(16) .
C8 H8 0.9300 .
C9 C10 1.288(19) .
C9 H9 0.9300 .
C10 C11 1.338(18) .
C10 H10 0.9300 .
C11 C12 1.412(15) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C18 1.345(14) .
C13 C14 1.373(13) .
C14 C15 1.375(18) .
C14 H14 0.9300 .
C15 C16 1.29(2) .
C15 H15 0.9300 .
C16 C17 1.33(2) .
C16 H16 0.9300 .
C17 C18 1.427(16) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C24 1.368(10) .
C19 C20 1.392(10) .
C20 C21 1.436(11) .
C20 H20 0.9300 .
C21 C22 1.355(14) .
C21 H21 0.9300 .
C22 C23 1.348(14) .
C23 C24 1.392(11) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C26 1.324(14) .
C25 C30 1.355(13) .
C26 C27 1.480(19) .
C26 H26 0.9300 .
C27 C28 1.27(2) .
C27 H27 0.9300 .
C28 C29 1.251(19) .
C28 H28 0.9300 .
C29 C30 1.389(18) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C36 1.328(14) .
C31 C32 1.371(15) .
C32 C33 1.43(2) .
C32 H32 0.9300 .
C33 C34 1.18(2) .
C33 H33 0.9300 .
C34 C35 1.32(2) .
C34 H34 0.9300 .
C35 C36 1.400(17) .
C35 H35 0.9300 .
C36 H36 0.9300 .
O1 Sb2 2.113(4) 2_755
O2 Sb1 2.088(4) 2_755
O2 Sb2 2.133(4) 2_755
O9 O10 1.76(2) 3_445
O10 O9 1.76(2) 3
