#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:45:20 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178580 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/91/4069108.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_4069108
loop_
_publ_author_name
'Beckmann, Jens'
'Hesse, Malte'
_publ_section_title
;
 Reactivity of the Dinuclear Arylstibonic Acid
 [2,6-Mes2C6H3Sb(O)(OH)2]2toward H2SO4and NaOH
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              2345
_journal_paper_doi               10.1021/om900030m
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C55 H61 O9 S Sb2'
_chemical_formula_weight         1141.60
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.92(6)
_cell_angle_beta                 90.04(7)
_cell_angle_gamma                113.70(5)
_cell_formula_units_Z            2
_cell_length_a                   11.395(10)
_cell_length_b                   14.174(8)
_cell_length_c                   17.196(14)
_cell_measurement_temperature    150
_cell_volume                     2498(4)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'DIAMOND (Brandenberg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.1042
_diffrn_reflns_av_sigmaI/netI    0.2180
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            28924
_diffrn_reflns_theta_full        29.23
_diffrn_reflns_theta_max         29.23
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    1.180
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.49
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1162
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .10
_refine_diff_density_max         0.755
_refine_diff_density_min         -1.238
_refine_diff_density_rms         0.203
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         13368
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.1166
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0216P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0745
_refine_ls_wR_factor_ref         0.1229
_reflns_number_gt                6016
_reflns_number_total             13368
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900030m_si_001.cif
_cod_data_source_block           publication_text
_cod_original_cell_volume        2498(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4069108
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C58 C 0.1960(8) 0.6580(7) 0.9833(6) 0.041(2) Uani 1 1 d .
H58A H 0.2302 0.6372 1.0251 0.062 Uiso 1 1 calc R
H58B H 0.2632 0.7157 0.9663 0.062 Uiso 1 1 calc R
H58C H 0.1612 0.6000 0.9396 0.062 Uiso 1 1 calc R
C26 C 0.4932(7) 1.1879(6) 1.1001(5) 0.0333(18) Uani 1 1 d .
H26A H 0.4674 1.1442 1.0485 0.050 Uiso 1 1 calc R
H26B H 0.5231 1.2602 1.0952 0.050 Uiso 1 1 calc R
H26C H 0.4213 1.1705 1.1321 0.050 Uiso 1 1 calc R
C36 C 0.5395(8) 1.3422(6) 1.5152(5) 0.041(2) Uani 1 1 d .
H36A H 0.5933 1.3638 1.4731 0.062 Uiso 1 1 calc R
H36B H 0.5502 1.2844 1.5314 0.062 Uiso 1 1 calc R
H36C H 0.5632 1.3997 1.5593 0.062 Uiso 1 1 calc R
C34 C 0.1455(8) 1.2509(6) 1.4383(5) 0.0354(19) Uani 1 1 d .
H34 H 0.0599 1.2312 1.4218 0.043 Uiso 1 1 calc R
C37 C 0.0723(9) 1.1988(8) 1.5694(7) 0.062(3) Uani 1 1 d .
H37A H 0.1121 1.1993 1.6188 0.094 Uiso 1 1 calc R
H37B H 0.0159 1.1281 1.5461 0.094 Uiso 1 1 calc R
H37C H 0.0238 1.2410 1.5785 0.094 Uiso 1 1 calc R
Sb1 Sb 0.42169(5) 1.11325(3) 1.32559(3) 0.02274(14) Uani 1 1 d .
Sb2 Sb 0.30847(5) 0.88675(3) 1.17445(3) 0.02286(14) Uani 1 1 d .
S1 S 0.1280(2) 1.00013(17) 1.25002(18) 0.0387(5) Uani 1 1 d .
O3 O 0.1637(5) 0.9056(3) 1.2444(3) 0.0307(13) Uani 1 1 d .
O2 O 0.2568(4) 1.0939(4) 1.2555(3) 0.0296(13) Uani 1 1 d .
O1 O 0.4289(4) 0.9997(3) 1.2498(3) 0.0253(11) Uani 1 1 d .
O4 O 0.5672(5) 1.1212(4) 1.3883(3) 0.0388(13) Uani 1 1 d .
H4 H 0.6319 1.1420 1.3640 0.058 Uiso 1 1 calc R
C30 C 0.3655(7) 1.3125(5) 1.4092(5) 0.0270(18) Uani 1 1 d .
C50 C 0.0529(7) 0.6867(5) 1.0893(5) 0.0254(17) Uani 1 1 d .
O7 O 0.2447(5) 0.9349(4) 1.0934(3) 0.0413(14) Uani 1 1 d .
H7 H 0.2091 0.9722 1.1135 0.062 Uiso 1 1 calc R
O5 O 0.3101(5) 1.0654(4) 1.4063(3) 0.0381(13) Uani 1 1 d .
H5 H 0.2372 1.0283 1.3861 0.057 Uiso 1 1 calc R
O6 O 0.4450(5) 0.8794(4) 1.1113(3) 0.0377(13) Uani 1 1 d .
H6 H 0.4893 0.8586 1.1352 0.057 Uiso 1 1 calc R
C40 C 0.2355(7) 0.7284(5) 1.1907(5) 0.0237(16) Uani 1 1 d .
C60 C 0.4344(7) 0.7784(5) 1.2855(5) 0.0279(16) Uani 1 1 d .
C20 C 0.6572(6) 1.2228(5) 1.2148(5) 0.0263(16) Uani 1 1 d .
C31 C 0.4006(7) 1.3087(5) 1.4868(5) 0.0258(16) Uani 1 1 d .
C10 C 0.5077(7) 1.2716(5) 1.3088(5) 0.0245(16) Uani 1 1 d .
C21 C 0.6011(6) 1.1702(5) 1.1388(5) 0.0263(16) Uani 1 1 d .
C13 C 0.6334(9) 1.4792(6) 1.2976(6) 0.048(2) Uani 1 1 d .
H13 H 0.6762 1.5496 1.2942 0.057 Uiso 1 1 calc R
C54 C 0.0282(7) 0.7255(6) 0.9619(5) 0.0351(19) Uani 1 1 d .
H54 H 0.0516 0.7266 0.9101 0.042 Uiso 1 1 calc R
C61 C 0.4308(7) 0.8300(5) 1.3614(5) 0.0261(16) Uani 1 1 d .
C51 C -0.0496(7) 0.7138(5) 1.1140(5) 0.0293(17) Uani 1 1 d .
C53 C -0.0675(7) 0.7581(6) 0.9861(5) 0.0354(19) Uani 1 1 d .
C22 C 0.6479(7) 1.1000(5) 1.0971(5) 0.0289(17) Uani 1 1 d .
H22 H 0.6144 1.0670 1.0455 0.035 Uiso 1 1 calc R
C62 C 0.5484(7) 0.8999(5) 1.4029(5) 0.0273(16) Uani 1 1 d .
H62 H 0.5478 0.9331 1.4544 0.033 Uiso 1 1 calc R
C66 C 0.3040(7) 0.8105(6) 1.3993(5) 0.0325(18) Uani 1 1 d .
H66A H 0.3207 0.8528 1.4514 0.049 Uiso 1 1 calc R
H66B H 0.2616 0.7378 1.4028 0.049 Uiso 1 1 calc R
H66C H 0.2500 0.8288 1.3675 0.049 Uiso 1 1 calc R
C63 C 0.6666(6) 0.9215(5) 1.3696(5) 0.0270(16) Uani 1 1 d .
C43 C 0.1534(8) 0.5209(6) 1.2037(6) 0.046(2) Uani 1 1 d .
H43 H 0.1253 0.4508 1.2079 0.055 Uiso 1 1 calc R
C11 C 0.6106(6) 1.3001(5) 1.2604(4) 0.0261(16) Uani 1 1 d .
C35 C 0.2374(7) 1.2868(5) 1.3860(5) 0.0299(17) Uani 1 1 d .
C55 C 0.0902(6) 0.6912(5) 1.0133(5) 0.0284(17) Uani 1 1 d .
C32 C 0.3030(8) 1.2739(5) 1.5374(5) 0.0320(18) Uani 1 1 d .
H32 H 0.3252 1.2716 1.5889 0.038 Uiso 1 1 calc R
C23 C 0.7451(6) 1.0782(5) 1.1317(5) 0.0287(17) Uani 1 1 d .
C41 C 0.1243(6) 0.6557(5) 1.1463(4) 0.0258(15) Uani 1 1 d .
O9 O 0.0571(5) 0.9907(4) 1.1781(4) 0.0579(19) Uani 1 1 d .
C33 C 0.1744(8) 1.2427(6) 1.5141(5) 0.039(2) Uani 1 1 d .
C65 C 0.5539(7) 0.7956(5) 1.2518(5) 0.0292(17) Uani 1 1 d .
C15 C 0.4682(7) 1.3445(5) 1.3538(4) 0.0280(16) Uani 1 1 d .
C64 C 0.6672(7) 0.8696(6) 1.2946(5) 0.0316(17) Uani 1 1 d .
H64 H 0.7450 0.8840 1.2716 0.038 Uiso 1 1 calc R
C68 C 0.5635(9) 0.7340(7) 1.1732(6) 0.048(2) Uani 1 1 d .
H68A H 0.4789 0.6862 1.1507 0.073 Uiso 1 1 calc R
H68B H 0.6137 0.6953 1.1808 0.073 Uiso 1 1 calc R
H68C H 0.6041 0.7814 1.1379 0.073 Uiso 1 1 calc R
C56 C -0.0987(8) 0.7037(7) 1.1952(5) 0.044(2) Uani 1 1 d .
H56A H -0.0499 0.6776 1.2240 0.066 Uiso 1 1 calc R
H56B H -0.1877 0.6559 1.1897 0.066 Uiso 1 1 calc R
H56C H -0.0898 0.7712 1.2233 0.066 Uiso 1 1 calc R
O8 O 0.0647(5) 1.0076(4) 1.3211(5) 0.058(2) Uani 1 1 d .
C24 C 0.7992(7) 1.1317(6) 1.2053(5) 0.0333(18) Uani 1 1 d .
H24 H 0.8649 1.1194 1.2275 0.040 Uiso 1 1 calc R
C38 C 0.1966(8) 1.2955(7) 1.3062(5) 0.042(2) Uani 1 1 d .
H38A H 0.2705 1.3208 1.2764 0.064 Uiso 1 1 calc R
H38B H 0.1558 1.3436 1.3119 0.064 Uiso 1 1 calc R
H38C H 0.1371 1.2278 1.2790 0.064 Uiso 1 1 calc R
C45 C 0.3108(7) 0.7001(5) 1.2399(4) 0.0269(16) Uani 1 1 d .
C28 C 0.8299(8) 1.2673(7) 1.3272(6) 0.045(2) Uani 1 1 d .
H28A H 0.7922 1.3143 1.3498 0.068 Uiso 1 1 calc R
H28B H 0.9185 1.3068 1.3196 0.068 Uiso 1 1 calc R
H28C H 0.8243 1.2201 1.3624 0.068 Uiso 1 1 calc R
C25 C 0.7585(7) 1.2052(6) 1.2485(5) 0.0311(18) Uani 1 1 d .
C67 C 0.7918(7) 1.0002(6) 1.4156(5) 0.041(2) Uani 1 1 d .
H67A H 0.7737 1.0287 1.4667 0.061 Uiso 1 1 calc R
H67B H 0.8332 1.0559 1.3870 0.061 Uiso 1 1 calc R
H67C H 0.8474 0.9657 1.4222 0.061 Uiso 1 1 calc R
C44 C 0.2630(8) 0.5934(5) 1.2451(5) 0.038(2) Uani 1 1 d .
H44 H 0.3080 0.5718 1.2781 0.046 Uiso 1 1 calc R
C27 C 0.7916(8) 0.9994(6) 1.0856(5) 0.042(2) Uani 1 1 d .
H27A H 0.7437 0.9698 1.0350 0.062 Uiso 1 1 calc R
H27B H 0.7791 0.9445 1.1147 0.062 Uiso 1 1 calc R
H27C H 0.8813 1.0343 1.0781 0.062 Uiso 1 1 calc R
C52 C -0.1051(7) 0.7503(6) 1.0610(6) 0.040(2) Uani 1 1 d .
H52 H -0.1708 0.7703 1.0772 0.048 Uiso 1 1 calc R
C12 C 0.6711(8) 1.4060(5) 1.2549(5) 0.039(2) Uani 1 1 d .
H12 H 0.7378 1.4274 1.2220 0.047 Uiso 1 1 calc R
C42 C 0.0829(8) 0.5512(5) 1.1547(5) 0.039(2) Uani 1 1 d .
H42 H 0.0071 0.5011 1.1272 0.047 Uiso 1 1 calc R
C14 C 0.5330(8) 1.4489(5) 1.3451(5) 0.039(2) Uani 1 1 d .
H14 H 0.5074 1.4993 1.3723 0.046 Uiso 1 1 calc R
C57 C -0.1264(10) 0.8018(8) 0.9308(7) 0.067(3) Uani 1 1 d .
H57A H -0.0870 0.8016 0.8814 0.100 Uiso 1 1 calc R
H57B H -0.1125 0.8724 0.9541 0.100 Uiso 1 1 calc R
H57C H -0.2170 0.7593 0.9215 0.100 Uiso 1 1 calc R
C75 C 0.6227(12) 0.5182(9) 0.9815(11) 0.084(5) Uani 1 1 d .
H75 H 0.7056 0.5286 0.9683 0.101 Uiso 1 1 calc R
C71 C 0.1041(12) 0.4807(9) 0.5194(10) 0.080(4) Uani 1 1 d .
H71 H 0.1760 0.4692 0.5321 0.097 Uiso 1 1 calc R
C72 C 0.0962(11) 0.5143(9) 0.4509(10) 0.082(4) Uani 1 1 d .
H72 H 0.1618 0.5228 0.4171 0.099 Uiso 1 1 calc R
C76 C 0.5842(12) 0.4855(9) 1.0486(10) 0.086(4) Uani 1 1 d .
H76 H 0.6414 0.4772 1.0826 0.103 Uiso 1 1 calc R
C70 C 0.0071(12) 0.4635(8) 0.5703(10) 0.080(4) Uani 1 1 d .
C74 C 0.5452(12) 0.5372(8) 0.9309(10) 0.078(4) Uani 1 1 d .
C73 C 0.023(2) 0.4332(16) 0.6344(14) 0.067(6) Uani 0.50 1 d P
H73A H -0.0498 0.4239 0.6650 0.101 Uiso 0.50 1 calc PR
H73B H 0.0994 0.4852 0.6648 0.101 Uiso 0.50 1 calc PR
H73C H 0.0322 0.3679 0.6213 0.101 Uiso 0.50 1 calc PR
C77 C 0.593(2) 0.5686(15) 0.8674(15) 0.070(6) Uani 0.50 1 d P
H77A H 0.5295 0.5792 0.8371 0.105 Uiso 0.50 1 calc PR
H77B H 0.6160 0.5166 0.8364 0.105 Uiso 0.50 1 calc PR
H77C H 0.6673 0.6335 0.8812 0.105 Uiso 0.50 1 calc PR
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'
Sb Sb -0.5866 1.5461 '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'
S S 0.1246 0.1234 '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_3
C35 C34 C33 123.1(8) .
O5 Sb1 O1 112.4(2) .
O5 Sb1 O4 91.3(3) .
O1 Sb1 O4 90.9(2) .
O5 Sb1 O2 87.5(2) .
O1 Sb1 O2 86.4(2) .
O4 Sb1 O2 176.35(19) .
O5 Sb1 C10 124.9(3) .
O1 Sb1 C10 122.1(3) .
O4 Sb1 C10 95.3(3) .
O2 Sb1 C10 88.2(2) .
O7 Sb2 O1 112.3(2) .
O7 Sb2 O6 90.6(3) .
O1 Sb2 O6 90.9(2) .
O7 Sb2 O3 87.8(2) .
O1 Sb2 O3 86.5(2) .
O6 Sb2 O3 176.3(2) .
O7 Sb2 C40 124.7(3) .
O1 Sb2 C40 122.4(3) .
O6 Sb2 C40 95.8(2) .
O3 Sb2 C40 87.9(2) .
O8 S1 O9 115.9(4) .
O8 S1 O2 110.5(4) .
O9 S1 O2 108.3(4) .
O8 S1 O3 107.9(4) .
O9 S1 O3 109.4(4) .
O2 S1 O3 104.2(3) .
S1 O3 Sb2 123.4(3) .
S1 O2 Sb1 123.5(3) .
Sb2 O1 Sb1 135.2(2) .
C35 C30 C31 120.2(7) .
C35 C30 C15 121.5(7) .
C31 C30 C15 118.2(7) .
C55 C50 C51 120.3(7) .
C55 C50 C41 119.5(7) .
C51 C50 C41 120.2(7) .
C41 C40 C45 123.0(6) .
C41 C40 Sb2 118.7(5) .
C45 C40 Sb2 117.9(5) .
C61 C60 C65 120.7(7) .
C61 C60 C45 119.5(6) .
C65 C60 C45 119.8(7) .
C21 C20 C25 120.5(7) .
C21 C20 C11 119.3(6) .
C25 C20 C11 120.1(7) .
C32 C31 C30 117.9(7) .
C32 C31 C36 120.6(7) .
C30 C31 C36 121.5(7) .
C11 C10 C15 123.1(6) .
C11 C10 Sb1 118.5(5) .
C15 C10 Sb1 118.1(5) .
C22 C21 C20 118.2(7) .
C22 C21 C26 119.6(7) .
C20 C21 C26 122.2(6) .
C14 C13 C12 120.4(7) .
C55 C54 C53 121.4(8) .
C60 C61 C62 117.7(7) .
C60 C61 C66 121.5(6) .
C62 C61 C66 120.8(7) .
C52 C51 C50 117.7(7) .
C52 C51 C56 120.3(7) .
C50 C51 C56 122.0(7) .
C52 C53 C54 118.1(7) .
C52 C53 C57 121.8(8) .
C54 C53 C57 120.1(8) .
C21 C22 C23 121.6(7) .
C63 C62 C61 122.5(7) .
C64 C63 C62 118.5(7) .
C64 C63 C67 120.6(7) .
C62 C63 C67 121.0(7) .
C44 C43 C42 120.1(7) .
C10 C11 C12 117.2(6) .
C10 C11 C20 123.3(6) .
C12 C11 C20 119.5(6) .
C34 C35 C30 118.8(8) .
C34 C35 C38 118.9(7) .
C30 C35 C38 122.2(7) .
C50 C55 C54 119.3(7) .
C50 C55 C58 121.9(7) .
C54 C55 C58 118.8(7) .
C31 C32 C33 122.7(8) .
C24 C23 C22 118.8(7) .
C24 C23 C27 120.8(7) .
C22 C23 C27 120.3(7) .
C40 C41 C42 117.5(7) .
C40 C41 C50 121.8(6) .
C42 C41 C50 120.8(6) .
C34 C33 C32 117.0(8) .
C34 C33 C37 122.5(8) .
C32 C33 C37 120.5(8) .
C64 C65 C60 118.9(7) .
C64 C65 C68 118.5(7) .
C60 C65 C68 122.6(7) .
C14 C15 C10 116.4(7) .
C14 C15 C30 122.1(6) .
C10 C15 C30 121.5(6) .
C63 C64 C65 121.6(7) .
C23 C24 C25 121.7(7) .
C44 C45 C40 116.1(7) .
C44 C45 C60 120.9(6) .
C40 C45 C60 123.0(6) .
C24 C25 C20 119.1(7) .
C24 C25 C28 118.5(7) .
C20 C25 C28 122.3(7) .
C43 C44 C45 122.2(7) .
C53 C52 C51 123.0(8) .
C13 C12 C11 121.0(7) .
C43 C42 C41 121.0(7) .
C13 C14 C15 121.9(7) .
C76 C75 C74 122.6(13) .
C72 C71 C70 121.0(13) .
C71 C72 C70 122.3(13) 2_566
C75 C76 C74 120.5(14) 2_667
C73 C70 C71 117.0(16) .
C73 C70 C72 126.3(19) 2_566
C71 C70 C72 116.6(14) 2_566
C77 C74 C75 117.3(16) .
C77 C74 C76 125.7(19) 2_667
C75 C74 C76 116.9(14) 2_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C58 C55 1.521(11) .
C26 C21 1.524(10) .
C36 C31 1.512(11) .
C34 C35 1.377(11) .
C34 C33 1.380(12) .
C37 C33 1.506(12) .
Sb1 O5 1.907(5) .
Sb1 O1 1.919(5) .
Sb1 O4 1.932(5) .
Sb1 O2 2.128(5) .
Sb1 C10 2.129(7) .
Sb2 O7 1.914(5) .
Sb2 O1 1.908(5) .
Sb2 O6 1.925(5) .
Sb2 O3 2.118(5) .
Sb2 C40 2.126(7) .
S1 O8 1.430(7) .
S1 O9 1.433(7) .
S1 O2 1.522(5) .
S1 O3 1.538(5) .
C30 C35 1.394(10) .
C30 C31 1.408(11) .
C30 C15 1.486(10) .
C50 C55 1.378(11) .
C50 C51 1.414(10) .
C50 C41 1.500(10) .
C40 C41 1.390(10) .
C40 C45 1.415(10) .
C60 C61 1.391(10) .
C60 C65 1.425(10) .
C60 C45 1.508(10) .
C20 C21 1.398(11) .
C20 C25 1.418(10) .
C20 C11 1.506(9) .
C31 C32 1.394(10) .
C10 C11 1.403(10) .
C10 C15 1.404(9) .
C21 C22 1.404(10) .
C13 C14 1.375(11) .
C13 C12 1.376(11) .
C54 C55 1.394(10) .
C54 C53 1.384(11) .
C61 C62 1.405(10) .
C61 C66 1.527(10) .
C51 C52 1.386(11) .
C51 C56 1.512(11) .
C53 C52 1.366(12) .
C53 C57 1.509(12) .
C22 C23 1.419(10) .
C62 C63 1.401(10) .
C63 C64 1.372(11) .
C63 C67 1.524(10) .
C43 C44 1.356(11) .
C43 C42 1.393(11) .
C11 C12 1.398(9) .
C35 C38 1.490(11) .
C32 C33 1.386(11) .
C23 C24 1.359(11) .
C23 C27 1.527(10) .
C41 C42 1.397(9) .
C65 C64 1.398(11) .
C65 C68 1.508(11) .
C15 C14 1.398(9) .
C24 C25 1.405(10) .
C45 C44 1.407(9) .
C28 C25 1.511(12) .
C75 C76 1.326(19) .
C75 C74 1.372(19) .
C71 C72 1.359(19) .
C71 C70 1.381(18) .
C72 C70 1.399(16) 2_566
C76 C74 1.435(16) 2_667
C70 C73 1.29(2) .
C70 C72 1.399(16) 2_566
C74 C77 1.29(2) .
C74 C76 1.435(16) 2_667
