#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/33/4083382.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_4083382
loop_
_publ_author_name
'Jami, Ananda Kumar'
'Prabhu, M. Santhana Raj'
'Baskar, Viswanathan'
_publ_section_title
;
 Isolation of Tetranuclear Organoantimony Oxo Clusters and
 Hexa-decanuclear Polyoxostibonates
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1137
_journal_paper_doi               10.1021/om900942q
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C126 H120 Cl16 N12 O36 Sb16'
_chemical_formula_sum            'C126 H120 Cl16 N12 O36 Sb16'
_chemical_formula_weight         4893.54
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 108.4530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.4669(17)
_cell_length_b                   19.0133(17)
_cell_length_c                   25.074(2)
_cell_measurement_reflns_used    9041
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.31
_cell_volume                     8351.2(13)
_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      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0383
_diffrn_reflns_av_sigmaI/netI    0.0285
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            78209
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    2.867
_exptl_absorpt_correction_T_max  0.5712
_exptl_absorpt_correction_T_min  0.4088
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   brukersadbas
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.946
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4672
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.750
_refine_diff_density_min         -1.685
_refine_diff_density_rms         0.242
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     934
_refine_ls_number_reflns         14727
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0483
_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)+(0.0748P)²+118.8923P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1349
_refine_ls_wR_factor_ref         0.1547
_reflns_number_gt                11774
_reflns_number_total             14727
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om900942q_si_002.cif
_cod_data_source_block           COMPOUND_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        8351.1(13)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P2(1)/n  '
_cod_database_code               4083382
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Sb6 Sb 0.23233(3) 0.43074(3) 1.05840(2) 0.02136(14) Uani 1 1 d .
Sb7 Sb 0.13734(3) 0.42679(3) 0.93023(2) 0.02094(14) Uani 1 1 d .
Sb2 Sb -0.04442(3) 0.32362(3) 0.90646(2) 0.02036(14) Uani 1 1 d .
Sb4 Sb -0.02189(3) 0.40666(3) 1.11253(2) 0.02091(14) Uani 1 1 d .
Sb5 Sb 0.05937(3) 0.33211(3) 1.03455(2) 0.01995(14) Uani 1 1 d .
Sb8 Sb 0.21094(3) 0.57068(3) 0.98447(2) 0.02095(14) Uani 1 1 d .
Sb3 Sb -0.06456(3) 0.45453(3) 0.82889(2) 0.02136(14) Uani 1 1 d .
Sb1 Sb -0.20007(3) 0.40948(3) 0.87475(2) 0.02166(14) Uani 1 1 d .
O11 O 0.0644(3) 0.3615(3) 0.9547(2) 0.0185(12) Uani 1 1 d .
O8 O 0.0123(3) 0.4315(3) 1.0414(2) 0.0188(12) Uani 1 1 d .
O10 O -0.0463(3) 0.5135(3) 1.1177(2) 0.0180(12) Uani 1 1 d .
O6 O -0.2232(3) 0.5080(3) 0.8821(2) 0.0228(13) Uani 1 1 d .
O3 O -0.0250(3) 0.3585(3) 0.8391(2) 0.0231(13) Uani 1 1 d .
O17 O 0.1207(3) 0.6199(3) 0.9381(2) 0.0236(13) Uani 1 1 d .
O12 O 0.1587(3) 0.3687(3) 1.0764(2) 0.0215(12) Uani 1 1 d .
O9 O 0.0261(3) 0.3190(3) 1.1008(2) 0.0240(13) Uani 1 1 d .
O1 O -0.0823(3) 0.4270(3) 0.9056(2) 0.0202(12) Uani 1 1 d .
O5 O -0.2065(3) 0.3819(3) 0.9482(2) 0.0233(13) Uani 1 1 d .
O7 O -0.0436(3) 0.3079(3) 0.9836(2) 0.0214(12) Uani 1 1 d .
O13 O 0.1442(3) 0.4884(3) 0.9994(2) 0.0205(12) Uani 1 1 d .
O16 O 0.2050(3) 0.5054(3) 0.9197(2) 0.0212(12) Uani 1 1 d .
O4 O -0.1753(3) 0.4372(3) 0.8046(2) 0.0255(13) Uani 1 1 d .
O14 O 0.2213(3) 0.3783(3) 0.9878(2) 0.0231(13) Uani 1 1 d .
O2 O -0.1568(3) 0.3111(3) 0.8739(2) 0.0246(13) Uani 1 1 d .
O18 O -0.0773(3) 0.5536(3) 0.8414(3) 0.0248(13) Uani 1 1 d .
O15 O 0.2936(3) 0.5073(3) 1.0352(2) 0.0232(13) Uani 1 1 d .
C43 C 0.2899(5) 0.6436(5) 0.9696(4) 0.0230(18) Uani 1 1 d .
C31 C 0.3314(5) 0.3775(5) 1.1068(4) 0.0258(19) Uani 1 1 d .
C30 C 0.1554(6) 0.2101(5) 1.0122(4) 0.034(2) Uani 1 1 d .
H30 H 0.1771 0.2454 0.9953 0.041 Uiso 1 1 calc R
C25 C 0.1018(5) 0.2282(4) 1.0368(3) 0.0235(18) Uani 1 1 d .
C11 C 0.0441(6) 0.1372(5) 0.8458(4) 0.036(2) Uani 1 1 d .
H11 H 0.0697 0.1277 0.8192 0.044 Uiso 1 1 calc R
C12 C 0.0233(5) 0.2056(5) 0.8545(4) 0.031(2) Uani 1 1 d .
H12 H 0.0347 0.2430 0.8334 0.038 Uiso 1 1 calc R
C37 C 0.1560(5) 0.3689(5) 0.8640(4) 0.028(2) Uani 1 1 d .
C8 C -0.0289(5) 0.1646(5) 0.9241(4) 0.031(2) Uani 1 1 d .
H8 H -0.0533 0.1741 0.9515 0.038 Uiso 1 1 calc R
C26 C 0.0718(6) 0.1760(5) 1.0630(4) 0.034(2) Uani 1 1 d .
H26 H 0.0352 0.1880 1.0809 0.041 Uiso 1 1 calc R
C7 C -0.0131(5) 0.2195(5) 0.8929(4) 0.028(2) Uani 1 1 d .
C38 C 0.1401(6) 0.3978(6) 0.8113(4) 0.042(3) Uani 1 1 d .
H38 H 0.1119 0.4404 0.8026 0.050 Uiso 1 1 calc R
C39 C 0.1653(6) 0.3647(6) 0.7703(4) 0.043(3) Uani 1 1 d .
H39 H 0.1529 0.3835 0.7334 0.052 Uiso 1 1 calc R
C13 C -0.0547(5) 0.4608(5) 0.7470(4) 0.030(2) Uani 1 1 d .
C1 C -0.3136(5) 0.3841(5) 0.8269(4) 0.028(2) Uani 1 1 d .
C19 C -0.0459(6) 0.3709(5) 1.1851(4) 0.028(2) Uani 1 1 d .
C4 C -0.4659(6) 0.3725(6) 0.7633(4) 0.040(2) Uani 1 1 d .
C36 C 0.3759(6) 0.4058(5) 1.1570(4) 0.035(2) Uani 1 1 d .
H36 H 0.3603 0.4483 1.1701 0.042 Uiso 1 1 calc R
C10 C 0.0266(6) 0.0838(6) 0.8763(5) 0.040(3) Uani 1 1 d .
C44 C 0.3365(5) 0.6821(5) 1.0148(4) 0.033(2) Uani 1 1 d .
H44 H 0.3351 0.6728 1.0517 0.039 Uiso 1 1 calc R
C35 C 0.4425(6) 0.3736(7) 1.1888(4) 0.045(3) Uani 1 1 d .
H35 H 0.4726 0.3933 1.2236 0.054 Uiso 1 1 calc R
C24 C 0.0056(7) 0.3239(5) 1.2197(4) 0.040(2) Uani 1 1 d .
H24 H 0.0462 0.3057 1.2082 0.048 Uiso 1 1 calc R
C32 C 0.3540(6) 0.3160(6) 1.0873(5) 0.040(3) Uani 1 1 d .
H32 H 0.3241 0.2961 1.0526 0.048 Uiso 1 1 calc R
C47 C 0.3399(6) 0.7102(7) 0.9081(5) 0.047(3) Uani 1 1 d .
H47 H 0.3409 0.7205 0.8712 0.056 Uiso 1 1 calc R
C27 C 0.0954(7) 0.1067(5) 1.0630(4) 0.039(2) Uani 1 1 d .
H27 H 0.0756 0.0711 1.0810 0.046 Uiso 1 1 calc R
C6 C -0.3713(6) 0.4046(6) 0.8477(4) 0.037(2) Uani 1 1 d .
H6 H -0.3583 0.4243 0.8844 0.044 Uiso 1 1 calc R
C29 C 0.1786(6) 0.1406(6) 1.0118(5) 0.042(3) Uani 1 1 d .
H29 H 0.2156 0.1281 0.9944 0.051 Uiso 1 1 calc R
C28 C 0.1473(7) 0.0906(6) 1.0368(5) 0.046(3) Uani 1 1 d .
C17 C -0.0597(8) 0.5264(7) 0.6638(5) 0.054(3) Uani 1 1 d .
H17 H -0.0689 0.5694 0.6435 0.065 Uiso 1 1 calc R
C2 C -0.3340(6) 0.3599(7) 0.7737(5) 0.046(3) Uani 1 1 d .
H2 H -0.2952 0.3470 0.7581 0.055 Uiso 1 1 calc R
C20 C -0.1063(6) 0.3941(6) 1.2014(5) 0.041(3) Uani 1 1 d .
H20 H -0.1427 0.4252 1.1776 0.049 Uiso 1 1 calc R
C46 C 0.3852(6) 0.7474(5) 0.9534(5) 0.040(3) Uani 1 1 d .
C45 C 0.3845(6) 0.7335(5) 1.0066(5) 0.039(2) Uani 1 1 d .
H45 H 0.4167 0.7590 1.0376 0.047 Uiso 1 1 calc R
C9 C -0.0091(6) 0.0956(5) 0.9155(5) 0.040(2) Uani 1 1 d .
H9 H -0.0203 0.0578 0.9364 0.048 Uiso 1 1 calc R
C48 C 0.2929(6) 0.6575(6) 0.9167(4) 0.041(2) Uani 1 1 d .
H48 H 0.2625 0.6309 0.8857 0.049 Uiso 1 1 calc R
C18 C -0.0679(7) 0.5228(7) 0.7171(5) 0.049(3) Uani 1 1 d .
H18 H -0.0827 0.5635 0.7330 0.058 Uiso 1 1 calc R
C3 C -0.4102(7) 0.3532(7) 0.7407(5) 0.052(3) Uani 1 1 d .
H3 H -0.4232 0.3357 0.7033 0.062 Uiso 1 1 calc R
C40 C 0.2079(6) 0.3051(7) 0.7846(5) 0.046(3) Uani 1 1 d .
C34 C 0.4642(6) 0.3135(6) 1.1694(5) 0.043(3) Uani 1 1 d .
C23 C -0.0014(8) 0.3031(6) 1.2707(5) 0.051(3) Uani 1 1 d .
H23 H 0.0351 0.2726 1.2949 0.061 Uiso 1 1 calc R
C33 C 0.4214(7) 0.2836(6) 1.1193(5) 0.050(3) Uani 1 1 d .
H33 H 0.4377 0.2411 1.1067 0.060 Uiso 1 1 calc R
C14 C -0.0314(8) 0.4031(7) 0.7234(5) 0.053(3) Uani 1 1 d .
H14 H -0.0205 0.3600 0.7436 0.064 Uiso 1 1 calc R
C42 C 0.1980(7) 0.3069(6) 0.8769(5) 0.049(3) Uani 1 1 d .
H42 H 0.2094 0.2867 0.9132 0.059 Uiso 1 1 calc R
C22 C -0.0620(7) 0.3274(7) 1.2855(5) 0.048(3) Uani 1 1 d .
C41 C 0.2235(7) 0.2744(7) 0.8358(5) 0.055(3) Uani 1 1 d .
H41 H 0.2512 0.2315 0.8438 0.067 Uiso 1 1 calc R
C21 C -0.1148(7) 0.3728(7) 1.2517(5) 0.053(3) Uani 1 1 d .
H21 H -0.1564 0.3893 1.2628 0.063 Uiso 1 1 calc R
C16 C -0.0393(9) 0.4699(7) 0.6415(5) 0.060(4) Uani 1 1 d .
Cl1 Cl -0.56207(15) 0.36277(17) 0.72406(12) 0.0510(7) Uani 1 1 d .
Cl6 Cl 0.54976(17) 0.27301(18) 1.20878(13) 0.0562(8) Uani 1 1 d .
Cl5 Cl 0.1720(2) 0.00242(16) 1.03196(15) 0.0654(9) Uani 1 1 d .
Cl2 Cl 0.0490(2) -0.00285(15) 0.86412(16) 0.0617(9) Uani 1 1 d .
Cl8 Cl 0.4431(2) 0.81487(17) 0.94286(17) 0.0629(9) Uani 1 1 d .
Cl7 Cl 0.24598(19) 0.2672(2) 0.73578(15) 0.0711(11) Uani 1 1 d .
Cl4 Cl -0.0704(2) 0.3012(3) 1.35037(14) 0.0810(12) Uani 1 1 d .
Cl3 Cl -0.0291(3) 0.4763(2) 0.57452(16) 0.1005(17) Uani 1 1 d .
N2 N 0.3828(5) 0.4541(5) 0.9853(4) 0.040(2) Uani 1 1 d .
H2A H 0.3659 0.4732 1.0110 0.048 Uiso 1 1 calc R
N1 N 0.3460(5) 0.4529(6) 0.9300(4) 0.050(3) Uani 1 1 d .
C50 C 0.4486(6) 0.4221(6) 0.9946(6) 0.048(3) Uani 1 1 d .
C52 C 0.3893(7) 0.4181(9) 0.9042(7) 0.075(5) Uani 1 1 d .
C49 C 0.5040(7) 0.4144(8) 1.0523(6) 0.066(4) Uani 1 1 d .
H49A H 0.4963 0.4525 1.0763 0.098 Uiso 1 1 calc R
H49B H 0.5562 0.4166 1.0505 0.098 Uiso 1 1 calc R
H49C H 0.4960 0.3690 1.0681 0.098 Uiso 1 1 calc R
C5 C -0.4471(6) 0.3971(6) 0.8168(4) 0.040(2) Uani 1 1 d .
H5 H -0.4859 0.4090 0.8326 0.048 Uiso 1 1 calc R
C51 C 0.4560(7) 0.4001(9) 0.9437(7) 0.075(5) Uani 1 1 d .
H51 H 0.4986 0.3773 0.9378 0.090 Uiso 1 1 calc R
C15 C -0.0239(10) 0.4080(8) 0.6694(6) 0.072(4) Uani 1 1 d .
H15 H -0.0082 0.3684 0.6528 0.086 Uiso 1 1 calc R
N5 N 0.2206(5) 0.3752(5) 0.1950(4) 0.039(2) Uani 1 1 d .
C60 C 0.2634(7) 0.3222(7) 0.2215(5) 0.050(3) Uani 1 1 d .
C61 C 0.3090(7) 0.3476(8) 0.2732(5) 0.058(4) Uani 1 1 d .
H61 H 0.3461 0.3218 0.3013 0.069 Uiso 1 1 calc R
C59 C 0.2626(9) 0.2517(7) 0.1955(6) 0.064(4) Uani 1 1 d .
H59A H 0.2100 0.2344 0.1813 0.096 Uiso 1 1 calc R
H59B H 0.2935 0.2189 0.2238 0.096 Uiso 1 1 calc R
H59C H 0.2838 0.2554 0.1644 0.096 Uiso 1 1 calc R
N6 N 0.2374(5) 0.4320(5) 0.2270(3) 0.037(2) Uani 1 1 d .
H6A H 0.2165 0.4736 0.2172 0.045 Uiso 1 1 calc R
C63 C 0.3192(8) 0.4723(9) 0.3188(5) 0.069(4) Uani 1 1 d .
H63A H 0.3608 0.4980 0.3110 0.103 Uiso 1 1 calc R
H63B H 0.3382 0.4503 0.3560 0.103 Uiso 1 1 calc R
H63C H 0.2779 0.5051 0.3180 0.103 Uiso 1 1 calc R
C62 C 0.2901(6) 0.4178(7) 0.2760(5) 0.048(3) Uani 1 1 d .
C53 C 0.3623(9) 0.4126(14) 0.8406(7) 0.131(10) Uani 1 1 d .
H53A H 0.3072 0.4036 0.8271 0.196 Uiso 1 1 calc R
H53B H 0.3890 0.3739 0.8290 0.196 Uiso 1 1 calc R
H53C H 0.3731 0.4568 0.8244 0.196 Uiso 1 1 calc R
N4 N 0.8369(5) 0.2419(4) 0.9990(4) 0.0350(19) Uani 1 1 d .
H4 H 0.8701 0.2758 1.0125 0.042 Uiso 1 1 calc R
C57 C 0.8146(6) 0.1953(5) 1.0304(5) 0.036(2) Uani 1 1 d .
C55 C 0.7541(6) 0.1774(5) 0.9396(5) 0.040(2) Uani 1 1 d .
C56 C 0.7602(6) 0.1526(5) 0.9927(5) 0.041(3) Uani 1 1 d .
H56 H 0.7330 0.1144 1.0018 0.050 Uiso 1 1 calc R
C58 C 0.8451(8) 0.1954(6) 1.0915(5) 0.054(3) Uani 1 1 d .
H58A H 0.8707 0.1505 1.1045 0.081 Uiso 1 1 calc R
H58B H 0.8033 0.2017 1.1073 0.081 Uiso 1 1 calc R
H58C H 0.8818 0.2339 1.1040 0.081 Uiso 1 1 calc R
C54 C 0.7049(8) 0.1540(7) 0.8827(6) 0.066(4) Uani 1 1 d .
H54A H 0.7132 0.1849 0.8540 0.099 Uiso 1 1 calc R
H54B H 0.6511 0.1561 0.8809 0.099 Uiso 1 1 calc R
H54C H 0.7181 0.1056 0.8761 0.099 Uiso 1 1 calc R
N3 N 0.8016(5) 0.2299(4) 0.9440(4) 0.037(2) 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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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
O6 Sb6 O12 87.1(2) 3_567 .
O6 Sb6 O14 167.7(2) 3_567 .
O12 Sb6 O14 91.2(2) . .
O6 Sb6 O15 89.0(2) 3_567 .
O12 Sb6 O15 170.1(2) . .
O14 Sb6 O15 90.8(2) . .
O6 Sb6 C31 96.7(3) 3_567 .
O12 Sb6 C31 96.8(3) . .
O14 Sb6 C31 95.6(3) . .
O15 Sb6 C31 92.7(3) . .
O6 Sb6 O13 89.5(2) 3_567 .
O12 Sb6 O13 92.1(2) . .
O14 Sb6 O13 78.4(2) . .
O15 Sb6 O13 78.8(2) . .
C31 Sb6 O13 169.4(3) . .
O14 Sb7 O16 93.8(2) . .
O14 Sb7 O11 86.4(2) . .
O16 Sb7 O11 167.0(2) . .
O14 Sb7 O13 79.9(2) . .
O16 Sb7 O13 79.3(2) . .
O11 Sb7 O13 87.9(2) . .
O14 Sb7 O10 169.7(2) . 3_567
O16 Sb7 O10 86.6(2) . 3_567
O11 Sb7 O10 90.9(2) . 3_567
O13 Sb7 O10 90.0(2) . 3_567
O14 Sb7 C37 92.6(3) . .
O16 Sb7 C37 91.2(3) . .
O11 Sb7 C37 101.8(3) . .
O13 Sb7 C37 167.5(3) . .
O10 Sb7 C37 97.7(3) 3_567 .
O3 Sb2 O7 164.6(2) . .
O3 Sb2 O2 98.0(2) . .
O7 Sb2 O2 93.9(2) . .
O3 Sb2 O1 79.8(2) . .
O7 Sb2 O1 93.0(2) . .
O2 Sb2 O1 78.8(2) . .
O3 Sb2 O11 88.7(2) . .
O7 Sb2 O11 77.2(2) . .
O2 Sb2 O11 162.5(2) . .
O1 Sb2 O11 86.6(2) . .
O3 Sb2 C7 92.6(3) . .
O7 Sb2 C7 95.7(3) . .
O2 Sb2 C7 97.2(3) . .
O1 Sb2 C7 170.7(3) . .
O11 Sb2 C7 98.7(3) . .
O17 Sb4 O9 93.3(3) 3_567 .
O17 Sb4 O18 172.0(2) 3_567 3_567
O9 Sb4 O18 91.9(2) . 3_567
O17 Sb4 O10 96.7(2) 3_567 .
O9 Sb4 O10 162.6(2) . .
O18 Sb4 O10 76.8(2) 3_567 .
O17 Sb4 C19 94.0(3) 3_567 .
O9 Sb4 C19 94.8(3) . .
O18 Sb4 C19 91.5(3) 3_567 .
O10 Sb4 C19 98.6(3) . .
O17 Sb4 O8 88.7(2) 3_567 .
O9 Sb4 O8 78.1(2) . .
O18 Sb4 O8 86.5(2) 3_567 .
O10 Sb4 O8 87.9(2) . .
C19 Sb4 O8 172.6(3) . .
O17 Sb4 Sb3 138.53(18) 3_567 3_567
O9 Sb4 Sb3 126.16(18) . 3_567
O18 Sb4 Sb3 34.94(17) 3_567 3_567
O10 Sb4 Sb3 41.88(15) . 3_567
C19 Sb4 Sb3 94.6(3) . 3_567
O8 Sb4 Sb3 87.95(15) . 3_567
O12 Sb5 O9 94.8(2) . .
O12 Sb5 O7 170.7(2) . .
O9 Sb5 O7 91.3(2) . .
O12 Sb5 O8 88.7(2) . .
O9 Sb5 O8 78.4(2) . .
O7 Sb5 O8 85.7(2) . .
O12 Sb5 O11 95.8(2) . .
O9 Sb5 O11 163.3(2) . .
O7 Sb5 O11 76.8(2) . .
O8 Sb5 O11 89.0(2) . .
O12 Sb5 C25 92.4(3) . .
O9 Sb5 C25 94.1(3) . .
O7 Sb5 C25 94.1(3) . .
O8 Sb5 C25 172.4(3) . .
O11 Sb5 C25 98.4(3) . .
O5 Sb8 O17 91.9(2) 3_567 .
O5 Sb8 O16 168.5(2) 3_567 .
O17 Sb8 O16 89.8(2) . .
O5 Sb8 O15 87.8(2) 3_567 .
O17 Sb8 O15 170.7(2) . .
O16 Sb8 O15 88.7(2) . .
O5 Sb8 O13 90.1(2) 3_567 .
O17 Sb8 O13 91.4(2) . .
O16 Sb8 O13 78.5(2) . .
O15 Sb8 O13 79.3(2) . .
O5 Sb8 C43 94.0(3) 3_567 .
O17 Sb8 C43 95.0(3) . .
O16 Sb8 C43 97.2(3) . .
O15 Sb8 C43 94.3(3) . .
O13 Sb8 C43 172.3(3) . .
O18 Sb3 O3 161.4(3) . .
O18 Sb3 O4 92.6(3) . .
O3 Sb3 O4 101.2(3) . .
O18 Sb3 O1 91.9(2) . .
O3 Sb3 O1 79.0(2) . .
O4 Sb3 O1 78.2(2) . .
O18 Sb3 C13 98.8(3) . .
O3 Sb3 C13 92.1(3) . .
O4 Sb3 C13 96.2(3) . .
O1 Sb3 C13 168.2(3) . .
O18 Sb3 O10 76.4(2) . 3_567
O3 Sb3 O10 86.5(2) . 3_567
O4 Sb3 O10 158.8(2) . 3_567
O1 Sb3 O10 84.0(2) . 3_567
C13 Sb3 O10 103.3(3) . 3_567
O18 Sb3 Sb4 35.86(18) . 3_567
O3 Sb3 Sb4 126.92(18) . 3_567
O4 Sb3 Sb4 126.88(19) . 3_567
O1 Sb3 Sb4 89.17(16) . 3_567
C13 Sb3 Sb4 102.4(3) . 3_567
O10 Sb3 Sb4 40.57(15) 3_567 3_567
O6 Sb1 O5 95.1(2) . .
O6 Sb1 O4 87.0(2) . .
O5 Sb1 O4 170.9(2) . .
O6 Sb1 O2 170.1(2) . .
O5 Sb1 O2 84.5(2) . .
O4 Sb1 O2 91.9(2) . .
O6 Sb1 O1 92.6(2) . .
O5 Sb1 O1 93.5(2) . .
O4 Sb1 O1 77.6(2) . .
O2 Sb1 O1 77.5(2) . .
O6 Sb1 C1 93.7(3) . .
O5 Sb1 C1 97.4(3) . .
O4 Sb1 C1 91.3(3) . .
O2 Sb1 C1 96.1(3) . .
O1 Sb1 C1 166.9(3) . .
Sb7 O11 Sb5 132.1(3) . .
Sb7 O11 Sb2 128.8(3) . .
Sb5 O11 Sb2 97.6(2) . .
Sb5 O8 Sb4 96.2(2) . .
Sb7 O10 Sb4 130.4(3) 3_567 .
Sb7 O10 Sb3 130.2(3) 3_567 3_567
Sb4 O10 Sb3 97.6(2) . 3_567
Sb6 O6 Sb1 136.6(3) 3_567 .
Sb2 O3 Sb3 105.5(3) . .
Sb4 O17 Sb8 136.1(3) 3_567 .
Sb5 O12 Sb6 134.5(3) . .
Sb4 O9 Sb5 107.3(3) . .
Sb2 O1 Sb1 99.2(2) . .
Sb2 O1 Sb3 95.5(2) . .
Sb1 O1 Sb3 98.4(2) . .
Sb8 O5 Sb1 136.7(3) 3_567 .
Sb2 O7 Sb5 107.9(3) . .
Sb7 O13 Sb8 99.0(2) . .
Sb7 O13 Sb6 97.0(2) . .
Sb8 O13 Sb6 98.3(2) . .
Sb7 O16 Sb8 103.2(2) . .
Sb3 O4 Sb1 105.9(3) . .
Sb7 O14 Sb6 104.6(3) . .
Sb2 O2 Sb1 104.3(3) . .
Sb3 O18 Sb4 109.2(3) . 3_567
Sb6 O15 Sb8 103.0(2) . .
C48 C43 C44 118.8(9) . .
C48 C43 Sb8 122.3(7) . .
C44 C43 Sb8 118.7(6) . .
C36 C31 C32 119.7(8) . .
C36 C31 Sb6 119.8(7) . .
C32 C31 Sb6 120.5(7) . .
C25 C30 C29 120.8(9) . .
C25 C30 H30 119.6 . .
C29 C30 H30 119.6 . .
C30 C25 C26 119.0(8) . .
C30 C25 Sb5 122.5(7) . .
C26 C25 Sb5 118.5(7) . .
C10 C11 C12 118.6(10) . .
C10 C11 H11 120.7 . .
C12 C11 H11 120.7 . .
C7 C12 C11 121.0(10) . .
C7 C12 H12 119.5 . .
C11 C12 H12 119.5 . .
C38 C37 C42 119.7(9) . .
C38 C37 Sb7 120.6(7) . .
C42 C37 Sb7 118.6(7) . .
C7 C8 C9 120.4(10) . .
C7 C8 H8 119.8 . .
C9 C8 H8 119.8 . .
C27 C26 C25 120.2(9) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C12 C7 C8 119.3(9) . .
C12 C7 Sb2 121.0(7) . .
C8 C7 Sb2 119.7(7) . .
C37 C38 C39 120.3(10) . .
C37 C38 H38 119.8 . .
C39 C38 H38 119.8 . .
C40 C39 C38 118.6(10) . .
C40 C39 H39 120.7 . .
C38 C39 H39 120.7 . .
C18 C13 C14 118.3(10) . .
C18 C13 Sb3 121.4(8) . .
C14 C13 Sb3 120.3(8) . .
C2 C1 C6 117.5(9) . .
C2 C1 Sb1 123.8(7) . .
C6 C1 Sb1 117.8(7) . .
C20 C19 C24 118.7(9) . .
C20 C19 Sb4 124.2(8) . .
C24 C19 Sb4 117.1(7) . .
C5 C4 C3 120.6(10) . .
C5 C4 Cl1 119.2(9) . .
C3 C4 Cl1 120.1(9) . .
C31 C36 C35 121.3(9) . .
C31 C36 H36 119.3 . .
C35 C36 H36 119.3 . .
C9 C10 C11 122.3(10) . .
C9 C10 Cl2 118.4(9) . .
C11 C10 Cl2 119.3(8) . .
C45 C44 C43 120.7(9) . .
C45 C44 H44 119.7 . .
C43 C44 H44 119.7 . .
C34 C35 C36 118.6(10) . .
C34 C35 H35 120.7 . .
C36 C35 H35 120.7 . .
C23 C24 C19 121.0(11) . .
C23 C24 H24 119.5 . .
C19 C24 H24 119.5 . .
C31 C32 C33 119.0(10) . .
C31 C32 H32 120.5 . .
C33 C32 H32 120.5 . .
C46 C47 C48 119.3(10) . .
C46 C47 H47 120.3 . .
C48 C47 H47 120.3 . .
C28 C27 C26 119.0(10) . .
C28 C27 H27 120.5 . .
C26 C27 H27 120.5 . .
C5 C6 C1 121.7(10) . .
C5 C6 H6 119.1 . .
C1 C6 H6 119.1 . .
C28 C29 C30 118.9(10) . .
C28 C29 H29 120.6 . .
C30 C29 H29 120.6 . .
C27 C28 C29 122.1(10) . .
C27 C28 Cl5 119.3(9) . .
C29 C28 Cl5 118.5(9) . .
C16 C17 C18 119.9(12) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C1 C2 C3 122.2(10) . .
C1 C2 H2 118.9 . .
C3 C2 H2 118.9 . .
C19 C20 C21 120.9(11) . .
C19 C20 H20 119.5 . .
C21 C20 H20 119.5 . .
C45 C46 C47 121.1(10) . .
C45 C46 Cl8 119.2(9) . .
C47 C46 Cl8 119.6(9) . .
C46 C45 C44 119.4(10) . .
C46 C45 H45 120.3 . .
C44 C45 H45 120.3 . .
C10 C9 C8 118.4(10) . .
C10 C9 H9 120.8 . .
C8 C9 H9 120.8 . .
C43 C48 C47 120.6(10) . .
C43 C48 H48 119.7 . .
C47 C48 H48 119.7 . .
C13 C18 C17 120.7(11) . .
C13 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C4 C3 C2 118.6(10) . .
C4 C3 H3 120.7 . .
C2 C3 H3 120.7 . .
C41 C40 C39 122.6(10) . .
C41 C40 Cl7 118.3(9) . .
C39 C40 Cl7 119.1(10) . .
C35 C34 C33 121.8(10) . .
C35 C34 Cl6 119.0(9) . .
C33 C34 Cl6 119.2(9) . .
C22 C23 C24 118.8(11) . .
C22 C23 H23 120.6 . .
C24 C23 H23 120.6 . .
C34 C33 C32 119.6(10) . .
C34 C33 H33 120.2 . .
C32 C33 H33 120.2 . .
C13 C14 C15 119.9(11) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C37 C42 C41 119.7(11) . .
C37 C42 H42 120.1 . .
C41 C42 H42 120.1 . .
C23 C22 C21 121.7(10) . .
C23 C22 Cl4 118.6(10) . .
C21 C22 Cl4 119.7(10) . .
C40 C41 C42 119.0(11) . .
C40 C41 H41 120.5 . .
C42 C41 H41 120.5 . .
C22 C21 C20 119.0(11) . .
C22 C21 H21 120.5 . .
C20 C21 H21 120.5 . .
C17 C16 C15 122.0(12) . .
C17 C16 Cl3 118.7(10) . .
C15 C16 Cl3 119.2(10) . .
C50 N2 N1 108.4(10) . .
C50 N2 H2A 125.8 . .
N1 N2 H2A 125.8 . .
N2 N1 C52 108.7(11) . .
N2 C50 C51 109.3(12) . .
N2 C50 C49 122.1(12) . .
C51 C50 C49 128.6(11) . .
N1 C52 C51 108.2(12) . .
N1 C52 C53 119.3(14) . .
C51 C52 C53 132.1(12) . .
C50 C49 H49A 109.5 . .
C50 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C50 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C4 C5 C6 119.3(10) . .
C4 C5 H5 120.4 . .
C6 C5 H5 120.4 . .
C52 C51 C50 105.2(11) . .
C52 C51 H51 127.4 . .
C50 C51 H51 127.4 . .
C16 C15 C14 119.2(12) . .
C16 C15 H15 120.4 . .
C14 C15 H15 120.4 . .
N6 N5 C60 109.2(9) . .
N5 C60 C61 107.0(11) . .
N5 C60 C59 123.0(12) . .
C61 C60 C59 129.8(12) . .
C62 C61 C60 107.1(10) . .
C62 C61 H61 126.4 . .
C60 C61 H61 126.4 . .
C60 C59 H59A 109.5 . .
C60 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
C60 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
N5 N6 C62 111.0(10) . .
N5 N6 H6A 124.5 . .
C62 N6 H6A 124.5 . .
C62 C63 H63A 109.5 . .
C62 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C62 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
N6 C62 C61 105.7(11) . .
N6 C62 C63 121.6(12) . .
C61 C62 C63 132.6(11) . .
C52 C53 H53A 109.5 . .
C52 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C52 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C57 N4 N3 110.6(9) . .
C57 N4 H4 124.7 . .
N3 N4 H4 124.7 . .
N4 C57 C56 106.1(10) . .
N4 C57 C58 122.1(10) . .
C56 C57 C58 131.8(10) . .
N3 C55 C56 109.2(10) . .
N3 C55 C54 119.8(11) . .
C56 C55 C54 131.0(11) . .
C55 C56 C57 105.9(9) . .
C55 C56 H56 127.1 . .
C57 C56 H56 127.1 . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C55 C54 H54A 109.5 . .
C55 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C55 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C55 N3 N4 108.1(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb6 O6 1.942(6) 3_567
Sb6 O12 1.958(6) .
Sb6 O14 1.984(6) .
Sb6 O15 2.039(6) .
Sb6 C31 2.107(8) .
Sb6 O13 2.124(6) .
Sb7 O14 1.980(6) .
Sb7 O16 2.019(6) .
Sb7 O11 2.062(5) .
Sb7 O13 2.064(6) .
Sb7 O10 2.069(5) 3_567
Sb7 C37 2.109(9) .
Sb2 O3 1.952(6) .
Sb2 O7 1.953(6) .
Sb2 O2 1.989(6) .
Sb2 O1 2.084(6) .
Sb2 O11 2.117(6) .
Sb2 C7 2.119(9) .
Sb4 O17 1.931(6) 3_567
Sb4 O9 1.954(6) .
Sb4 O18 1.980(6) 3_567
Sb4 O10 2.094(6) .
Sb4 C19 2.117(9) .
Sb4 O8 2.126(5) .
Sb4 Sb3 3.1916(8) 3_567
Sb5 O12 1.931(6) .
Sb5 O9 1.961(6) .
Sb5 O7 1.980(6) .
Sb5 O8 2.110(5) .
Sb5 O11 2.110(5) .
Sb5 C25 2.120(8) .
Sb8 O5 1.940(6) 3_567
Sb8 O17 1.943(6) .
Sb8 O16 2.019(6) .
Sb8 O15 2.042(6) .
Sb8 O13 2.098(6) .
Sb8 C43 2.129(9) .
Sb3 O18 1.936(6) .
Sb3 O3 1.953(6) .
Sb3 O4 1.967(6) .
Sb3 O1 2.116(6) .
Sb3 C13 2.121(9) .
Sb3 O10 2.149(5) 3_567
Sb3 Sb4 3.1918(8) 3_567
Sb1 O6 1.943(6) .
Sb1 O5 1.953(6) .
Sb1 O4 2.023(6) .
Sb1 O2 2.037(6) .
Sb1 O1 2.091(6) .
Sb1 C1 2.115(9) .
O10 Sb7 2.069(5) 3_567
O10 Sb3 2.149(5) 3_567
O6 Sb6 1.942(6) 3_567
O17 Sb4 1.931(6) 3_567
O5 Sb8 1.940(6) 3_567
O18 Sb4 1.980(6) 3_567
C43 C48 1.371(13) .
C43 C44 1.394(13) .
C31 C36 1.377(14) .
C31 C32 1.383(14) .
C30 C25 1.365(13) .
C30 C29 1.390(14) .
C30 H30 0.9500 .
C25 C26 1.397(13) .
C11 C10 1.369(16) .
C11 C12 1.392(14) .
C11 H11 0.9500 .
C12 C7 1.365(14) .
C12 H12 0.9500 .
C37 C38 1.375(14) .
C37 C42 1.391(14) .
C8 C7 1.389(14) .
C8 C9 1.398(14) .
C8 H8 0.9500 .
C26 C27 1.388(14) .
C26 H26 0.9500 .
C38 C39 1.404(15) .
C38 H38 0.9500 .
C39 C40 1.361(17) .
C39 H39 0.9500 .
C13 C18 1.376(15) .
C13 C14 1.379(15) .
C1 C2 1.348(14) .
C1 C6 1.383(13) .
C19 C20 1.377(14) .
C19 C24 1.391(14) .
C4 C5 1.358(15) .
C4 C3 1.372(16) .
C4 Cl1 1.747(10) .
C36 C35 1.380(14) .
C36 H36 0.9500 .
C10 C9 1.363(15) .
C10 Cl2 1.749(10) .
C44 C45 1.378(14) .
C44 H44 0.9500 .
C35 C34 1.352(16) .
C35 H35 0.9500 .
C24 C23 1.382(15) .
C24 H24 0.9500 .
C32 C33 1.393(15) .
C32 H32 0.9500 .
C47 C46 1.375(16) .
C47 C48 1.387(15) .
C47 H47 0.9500 .
C27 C28 1.356(16) .
C27 H27 0.9500 .
C6 C5 1.376(14) .
C6 H6 0.9500 .
C29 C28 1.365(16) .
C29 H29 0.9500 .
C28 Cl5 1.751(11) .
C17 C16 1.319(18) .
C17 C18 1.395(16) .
C17 H17 0.9500 .
C2 C3 1.393(16) .
C2 H2 0.9500 .
C20 C21 1.380(15) .
C20 H20 0.9500 .
C46 C45 1.363(15) .
C46 Cl8 1.742(10) .
C45 H45 0.9500 .
C9 H9 0.9500 .
C48 H48 0.9500 .
C18 H18 0.9500 .
C3 H3 0.9500 .
C40 C41 1.357(18) .
C40 Cl7 1.748(11) .
C34 C33 1.377(16) .
C34 Cl6 1.753(10) .
C23 C22 1.365(18) .
C23 H23 0.9500 .
C33 H33 0.9500 .
C14 C15 1.407(18) .
C14 H14 0.9500 .
C42 C41 1.402(16) .
C42 H42 0.9500 .
C22 C21 1.377(17) .
C22 Cl4 1.753(11) .
C41 H41 0.9500 .
C21 H21 0.9500 .
C16 C15 1.352(19) .
C16 Cl3 1.753(12) .
N2 C50 1.312(13) .
N2 N1 1.337(13) .
N2 H2A 0.8800 .
N1 C52 1.350(15) .
C50 C51 1.390(19) .
C50 C49 1.492(19) .
C52 C51 1.36(2) .
C52 C53 1.52(2) .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C49 H49C 0.9800 .
C5 H5 0.9500 .
C51 H51 0.9500 .
C15 H15 0.9500 .
N5 N6 1.323(13) .
N5 C60 1.323(14) .
C60 C61 1.391(18) .
C60 C59 1.487(18) .
C61 C62 1.386(18) .
C61 H61 0.9500 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
N6 C62 1.331(13) .
N6 H6A 0.8800 .
C63 C62 1.467(18) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
N4 C57 1.333(13) .
N4 N3 1.346(12) .
N4 H4 0.8800 .
C57 C56 1.400(15) .
C57 C58 1.456(16) .
C55 N3 1.310(13) .
C55 C56 1.386(16) .
C55 C54 1.495(17) .
C56 H56 0.9500 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
