#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:25:23 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180038 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/32/7033256.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_7033256
loop_
_publ_author_name
'Srungavruksham, Nagarjuna Kumar'
'Baskar, Viswanathan'
_publ_section_title
;
 Assembling anionic Sb(v)/(iii) containing polyoxostibonates stabilized by
 triphenyltellurium cations.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6358
_journal_page_last               6362
_journal_paper_doi               10.1039/c4dt03319a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C148 H126 Br10 Cl8 Na2 O36 Sb14 Te6'
_chemical_formula_sum            'C148 H126 Br10 Cl8 Na2 O36 Sb14 Te6'
_chemical_formula_weight         6079.27
_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
_audit_update_record
;
2014-10-16 deposited with the CCDC.
2014-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 91.9930(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.1789(13)
_cell_length_b                   22.2219(15)
_cell_length_c                   20.1740(13)
_cell_measurement_reflns_used    7207
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.94
_cell_measurement_theta_min      2.33
_cell_volume                     8592.8(10)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0854
_diffrn_reflns_av_sigmaI/netI    0.0642
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            82138
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    5.685
_exptl_absorpt_correction_T_max  0.6591
_exptl_absorpt_correction_T_min  0.4632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   brukarsadbas
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.350
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5672
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.897
_refine_diff_density_min         -1.861
_refine_diff_density_rms         0.244
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1009
_refine_ls_number_reflns         15219
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0554
_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)+(0.0812P)²+40.6987P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1335
_refine_ls_wR_factor_ref         0.1503
_reflns_number_gt                10848
_reflns_number_total             15219
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03319a2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7033256--7033257.cif.
;
_cod_original_sg_symbol_H-M      'P2(1)/n  '
_cod_database_code               7033256
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
Sb5 Sb 0.47117(4) 0.14258(3) 0.49572(4) 0.02262(17) Uani 1 1 d .
Sb3 Sb 0.35507(4) -0.00402(3) 0.66118(4) 0.02423(18) Uani 1 1 d .
Te3 Te 0.23987(4) 0.33169(3) 0.77936(4) 0.03073(19) Uani 1 1 d .
Sb4 Sb 0.34488(4) 0.05880(3) 0.49382(4) 0.02260(17) Uani 1 1 d .
Sb1 Sb 0.35302(4) -0.09781(3) 0.54430(4) 0.02239(17) Uani 1 1 d .
Sb2 Sb 0.45546(4) -0.11622(3) 0.66718(4) 0.02440(18) Uani 1 1 d .
Sb7 Sb 0.62595(4) -0.11079(3) 0.67189(4) 0.02518(18) Uani 1 1 d .
Te2 Te 0.56646(4) 0.13709(3) 0.75667(4) 0.03202(19) Uani 1 1 d .
Te1 Te 0.66790(4) 0.01842(3) 0.76221(4) 0.0328(2) Uani 1 1 d .
Br3 Br 0.09048(8) 0.07313(6) 0.85813(7) 0.0520(4) Uani 1 1 d .
Br2 Br 0.44913(8) -0.34479(6) 0.88819(7) 0.0497(4) Uani 1 1 d .
Br5 Br 0.50125(13) 0.44077(7) 0.55305(11) 0.0990(8) Uani 1 1 d .
Br1 Br 0.11740(8) -0.28169(8) 0.38908(10) 0.0757(6) Uani 1 1 d .
O6 O 0.3404(3) -0.0291(3) 0.4853(3) 0.0218(16) Uani 1 1 d .
O11 O 0.4769(4) 0.1352(3) 0.5986(3) 0.0255(17) Uani 1 1 d .
O12 O 0.4244(4) 0.0587(3) 0.6975(4) 0.0292(18) Uani 1 1 d .
O13 O 0.5431(4) -0.0745(3) 0.7042(4) 0.0271(17) Uani 1 1 d .
O5 O 0.4293(4) -0.0456(3) 0.6033(3) 0.0236(16) Uani 1 1 d .
O7 O 0.4490(3) 0.0557(3) 0.4974(3) 0.0234(16) Uani 1 1 d .
O8 O 0.3421(4) 0.0603(3) 0.5937(3) 0.0263(17) Uani 1 1 d .
O2 O 0.3820(4) -0.1564(3) 0.6142(3) 0.0236(16) Uani 1 1 d .
O15 O 0.6837(4) -0.0760(3) 0.7383(4) 0.0338(19) Uani 1 1 d .
O9 O 0.3673(3) 0.1458(3) 0.4925(3) 0.0214(16) Uani 1 1 d .
O3 O 0.3957(4) -0.0652(3) 0.7223(3) 0.0264(17) Uani 1 1 d .
O4 O 0.2927(3) -0.0590(3) 0.6107(3) 0.0252(17) Uani 1 1 d .
O17 O 0.6589(4) 0.1063(3) 0.7921(4) 0.040(2) Uani 1 1 d .
C7 C 0.4601(6) -0.1880(5) 0.7355(6) 0.031(3) Uani 1 1 d .
C13 C 0.2753(6) 0.0238(4) 0.7245(6) 0.026(2) Uani 1 1 d .
C54 C 0.5878(7) 0.2549(5) 0.6789(7) 0.041(3) Uani 1 1 d .
H54 H 0.5512 0.2407 0.6517 0.049 Uiso 1 1 calc R
C11 C 0.4381(6) -0.2241(5) 0.8450(6) 0.037(3) Uani 1 1 d .
H11 H 0.4241 -0.2170 0.8879 0.045 Uiso 1 1 calc R
C8 C 0.4752(7) -0.2466(5) 0.7171(6) 0.036(3) Uani 1 1 d .
H8 H 0.4875 -0.2546 0.6738 0.044 Uiso 1 1 calc R
C2 C 0.2986(6) -0.1978(5) 0.4524(6) 0.032(3) Uani 1 1 d .
H2 H 0.3455 -0.2006 0.4425 0.039 Uiso 1 1 calc R
C14 C 0.2709(6) -0.0010(5) 0.7868(6) 0.034(3) Uani 1 1 d .
H14 H 0.3050 -0.0279 0.8021 0.041 Uiso 1 1 calc R
C17 C 0.1709(6) 0.0800(5) 0.7435(6) 0.037(3) Uani 1 1 d .
H17 H 0.1375 0.1077 0.7290 0.044 Uiso 1 1 calc R
C37 C 0.7139(6) -0.0043(5) 0.8565(6) 0.037(3) Uani 1 1 d .
C1 C 0.2775(5) -0.1539(5) 0.4964(5) 0.026(2) Uani 1 1 d .
C9 C 0.4722(7) -0.2927(5) 0.7618(6) 0.039(3) Uani 1 1 d .
H9 H 0.4819 -0.3319 0.7488 0.047 Uiso 1 1 calc R
C16 C 0.1664(6) 0.0537(5) 0.8043(6) 0.039(3) Uani 1 1 d .
C18 C 0.2252(6) 0.0652(5) 0.7040(6) 0.035(3) Uani 1 1 d .
H18 H 0.2283 0.0833 0.6627 0.042 Uiso 1 1 calc R
C19 C 0.2369(5) 0.0736(5) 0.4819(5) 0.026(2) Uani 1 1 d .
C49 C 0.6132(7) 0.2202(5) 0.7313(6) 0.037(3) Uani 1 1 d .
O10 O 0.4733(4) 0.1442(3) 0.3965(3) 0.0248(17) Uani 1 1 d .
Sb6 Sb 0.40791(4) 0.13703(3) 0.66180(4) 0.02464(18) Uani 1 1 d .
O1 O 0.4293(3) -0.1250(3) 0.4889(3) 0.0230(16) Uani 1 1 d .
O16 O 0.4625(4) 0.1778(3) 0.7256(4) 0.0301(18) Uani 1 1 d .
O14 O 0.6460(4) -0.0534(3) 0.6090(3) 0.0265(17) Uani 1 1 d .
C25 C 0.4792(6) 0.2362(5) 0.5067(5) 0.028(3) Uani 1 1 d .
C61 C 0.2377(6) 0.2964(5) 0.6812(6) 0.035(3) Uani 1 1 d .
C66 C 0.2366(6) 0.2363(6) 0.6683(6) 0.041(3) Uani 1 1 d .
H66 H 0.2381 0.2086 0.7029 0.049 Uiso 1 1 calc R
C68 C 0.2198(6) 0.2311(5) 0.8753(6) 0.037(3) Uani 1 1 d .
H68 H 0.1789 0.2523 0.8825 0.045 Uiso 1 1 calc R
C10 C 0.4549(6) -0.2808(5) 0.8264(6) 0.031(3) Uani 1 1 d .
C67 C 0.2656(6) 0.2510(5) 0.8298(6) 0.033(3) Uani 1 1 d .
C21 C 0.1184(6) 0.0410(6) 0.5038(6) 0.040(3) Uani 1 1 d .
H21 H 0.0879 0.0144 0.5234 0.048 Uiso 1 1 calc R
C22 C 0.0940(6) 0.0869(6) 0.4662(6) 0.037(3) Uani 1 1 d .
C23 C 0.1374(6) 0.1277(5) 0.4362(6) 0.036(3) Uani 1 1 d .
H23 H 0.1190 0.1596 0.4113 0.044 Uiso 1 1 calc R
C6 C 0.2066(6) -0.1501(5) 0.5091(7) 0.040(3) Uani 1 1 d .
H6 H 0.1910 -0.1209 0.5381 0.048 Uiso 1 1 calc R
C29 C 0.5433(8) 0.3294(6) 0.4997(7) 0.053(4) Uani 1 1 d .
H29 H 0.5823 0.3506 0.4868 0.064 Uiso 1 1 calc R
C4 C 0.1818(6) -0.2310(5) 0.4355(7) 0.040(3) Uani 1 1 d .
C30 C 0.5374(6) 0.2688(5) 0.4859(6) 0.039(3) Uani 1 1 d .
H30 H 0.5720 0.2494 0.4628 0.046 Uiso 1 1 calc R
C26 C 0.4272(6) 0.2687(6) 0.5388(6) 0.035(3) Uani 1 1 d .
H26 H 0.3876 0.2484 0.5521 0.042 Uiso 1 1 calc R
C5 C 0.1598(7) -0.1889(6) 0.4795(8) 0.058(4) Uani 1 1 d .
H5 H 0.1129 -0.1866 0.4893 0.070 Uiso 1 1 calc R
Br4 Br -0.00447(7) 0.09387(8) 0.45126(9) 0.0641(5) Uani 1 1 d .
C65 C 0.2333(7) 0.2165(5) 0.6023(7) 0.043(3) Uani 1 1 d .
H65 H 0.2341 0.1755 0.5927 0.052 Uiso 1 1 calc R
C70 C 0.2954(7) 0.1473(6) 0.8978(7) 0.049(4) Uani 1 1 d .
H70 H 0.3061 0.1123 0.9214 0.059 Uiso 1 1 calc R
C53 C 0.6168(7) 0.3110(6) 0.6669(7) 0.047(4) Uani 1 1 d .
H53 H 0.6005 0.3341 0.6312 0.057 Uiso 1 1 calc R
C57 C 0.4517(7) 0.3769(6) 0.7239(7) 0.049(4) Uani 1 1 d .
H57 H 0.4853 0.3618 0.6962 0.058 Uiso 1 1 calc R
C52 C 0.6683(8) 0.3316(6) 0.7070(8) 0.052(4) Uani 1 1 d .
H52 H 0.6868 0.3696 0.6998 0.062 Uiso 1 1 calc R
C24 C 0.2081(6) 0.1202(5) 0.4438(6) 0.031(3) Uani 1 1 d .
H24 H 0.2376 0.1468 0.4230 0.038 Uiso 1 1 calc R
C62 C 0.2326(7) 0.3384(6) 0.6300(6) 0.043(3) Uani 1 1 d .
H62 H 0.2319 0.3794 0.6392 0.051 Uiso 1 1 calc R
C51 C 0.6941(8) 0.2972(7) 0.7589(8) 0.060(4) Uani 1 1 d .
H51 H 0.7302 0.3119 0.7863 0.072 Uiso 1 1 calc R
C43 C 0.5444(7) 0.1691(6) 0.8533(7) 0.045(3) Uani 1 1 d .
C64 C 0.2289(7) 0.2576(6) 0.5521(6) 0.045(3) Uani 1 1 d .
H64 H 0.2261 0.2444 0.5083 0.054 Uiso 1 1 calc R
C72 C 0.3270(7) 0.2205(6) 0.8176(7) 0.053(4) Uani 1 1 d .
H72 H 0.3587 0.2356 0.7879 0.063 Uiso 1 1 calc R
C60 C 0.3548(6) 0.4206(5) 0.8090(6) 0.037(3) Uani 1 1 d .
H60 H 0.3225 0.4349 0.8385 0.044 Uiso 1 1 calc R
C56 C 0.3898(6) 0.3469(6) 0.7298(7) 0.042(3) Uani 1 1 d .
H56 H 0.3807 0.3119 0.7056 0.050 Uiso 1 1 calc R
C55 C 0.3404(6) 0.3695(5) 0.7725(6) 0.032(3) Uani 1 1 d .
C3 C 0.2514(6) -0.2376(6) 0.4232(6) 0.040(3) Uani 1 1 d .
H3 H 0.2665 -0.2681 0.3956 0.048 Uiso 1 1 calc R
C36 C 0.7812(8) 0.0971(7) 0.7046(8) 0.064(5) Uani 1 1 d .
H36 H 0.7508 0.1282 0.7146 0.077 Uiso 1 1 calc R
C69 C 0.2350(7) 0.1790(6) 0.9105(6) 0.043(3) Uani 1 1 d .
H69 H 0.2049 0.1653 0.9424 0.052 Uiso 1 1 calc R
C20 C 0.1902(6) 0.0342(6) 0.5127(6) 0.038(3) Uani 1 1 d .
H20 H 0.2078 0.0032 0.5393 0.046 Uiso 1 1 calc R
C63 C 0.2286(8) 0.3180(6) 0.5653(7) 0.053(4) Uani 1 1 d .
H63 H 0.2256 0.3454 0.5305 0.063 Uiso 1 1 calc R
C34 C 0.8875(9) 0.0622(8) 0.6599(9) 0.075(5) Uani 1 1 d .
H34 H 0.9299 0.0696 0.6405 0.089 Uiso 1 1 calc R
C48 C 0.5078(9) 0.2228(6) 0.8586(8) 0.064(4) Uani 1 1 d .
H48 H 0.4945 0.2446 0.8209 0.077 Uiso 1 1 calc R
C39 C 0.7471(11) -0.0757(8) 0.9401(8) 0.084(6) Uani 1 1 d .
H39 H 0.7463 -0.1150 0.9557 0.100 Uiso 1 1 calc R
C31 C 0.7636(6) 0.0379(5) 0.7164(6) 0.033(3) Uani 1 1 d .
C38 C 0.7110(10) -0.0601(7) 0.8810(7) 0.067(5) Uani 1 1 d .
H38 H 0.6846 -0.0892 0.8583 0.080 Uiso 1 1 calc R
C42 C 0.7490(9) 0.0411(7) 0.8936(8) 0.070(5) Uani 1 1 d .
H42 H 0.7483 0.0809 0.8791 0.084 Uiso 1 1 calc R
C71 C 0.3396(7) 0.1674(7) 0.8504(8) 0.058(4) Uani 1 1 d .
H71 H 0.3787 0.1447 0.8406 0.070 Uiso 1 1 calc R
C44 C 0.5664(10) 0.1360(9) 0.9082(8) 0.084(6) Uani 1 1 d .
H44 H 0.5928 0.1012 0.9034 0.101 Uiso 1 1 calc R
C35 C 0.8460(9) 0.1094(9) 0.6770(11) 0.098(7) Uani 1 1 d .
H35 H 0.8604 0.1489 0.6706 0.117 Uiso 1 1 calc R
C15 C 0.2155(6) 0.0136(5) 0.8272(6) 0.037(3) Uani 1 1 d .
H15 H 0.2122 -0.0037 0.8690 0.044 Uiso 1 1 calc R
C50 C 0.6670(7) 0.2418(6) 0.7703(7) 0.049(4) Uani 1 1 d .
H50 H 0.6853 0.2184 0.8050 0.059 Uiso 1 1 calc R
C33 C 0.8682(8) 0.0077(7) 0.6706(7) 0.059(4) Uani 1 1 d .
H33 H 0.8977 -0.0233 0.6583 0.071 Uiso 1 1 calc R
C32 C 0.8079(7) -0.0072(6) 0.6984(7) 0.051(4) Uani 1 1 d .
H32 H 0.7964 -0.0473 0.7054 0.061 Uiso 1 1 calc R
C40 C 0.7827(10) -0.0330(8) 0.9738(8) 0.074(5) Uani 1 1 d .
H40 H 0.8066 -0.0433 1.0131 0.089 Uiso 1 1 calc R
C41 C 0.7849(11) 0.0251(9) 0.9522(9) 0.090(6) Uani 1 1 d .
H41 H 0.8101 0.0539 0.9764 0.108 Uiso 1 1 calc R
C12 C 0.4416(5) -0.1775(5) 0.8013(6) 0.027(3) Uani 1 1 d .
H12 H 0.4318 -0.1385 0.8151 0.033 Uiso 1 1 calc R
C59 C 0.4177(7) 0.4508(6) 0.8021(7) 0.049(3) Uani 1 1 d .
H59 H 0.4277 0.4853 0.8267 0.058 Uiso 1 1 calc R
C58 C 0.4643(7) 0.4290(7) 0.7588(7) 0.055(4) Uani 1 1 d .
H58 H 0.5056 0.4499 0.7526 0.066 Uiso 1 1 calc R
C27 C 0.4326(7) 0.3286(6) 0.5511(7) 0.050(4) Uani 1 1 d .
H27 H 0.3972 0.3492 0.5717 0.060 Uiso 1 1 calc R
C28 C 0.4920(8) 0.3581(5) 0.5322(7) 0.052(4) Uani 1 1 d .
Na1 Na 0.5252(2) 0.01845(18) 0.5817(2) 0.0298(10) Uani 1 1 d .
Cl3 Cl 0.5348(4) 0.9654(4) 0.8858(4) 0.156(3) Uani 1 1 d .
C45 C 0.5487(13) 0.1554(13) 0.9695(10) 0.128(10) Uani 1 1 d .
H45 H 0.5587 0.1328 1.0074 0.154 Uiso 1 1 calc R
C47 C 0.4919(10) 0.2427(9) 0.9196(9) 0.080(6) Uani 1 1 d .
H47 H 0.4657 0.2775 0.9244 0.096 Uiso 1 1 calc R
C46 C 0.5140(11) 0.2118(13) 0.9725(11) 0.124(10) Uani 1 1 d .
H46 H 0.5064 0.2281 1.0141 0.149 Uiso 1 1 calc R
Cl2 Cl 0.9097(3) 0.1320(3) 0.8595(4) 0.129(2) Uani 1 1 d .
O18 O 0.6198(4) 0.0824(3) 0.6323(4) 0.0344(19) Uani 1 1 d .
Cl4 Cl 0.3909(4) 0.9831(5) 0.9229(4) 0.176(4) Uani 1 1 d .
C74 C 0.4742(19) 1.0042(11) 0.841(2) 0.32(4) Uani 1 1 d .
H74A H 0.4626 0.9865 0.7983 0.379 Uiso 1 1 calc R
H74B H 0.4848 1.0467 0.8370 0.379 Uiso 1 1 calc R
Cl1 Cl 0.8118(5) 0.2218(3) 0.8920(3) 0.157(3) Uani 1 1 d .
C73 C 0.8563(17) 0.1970(16) 0.8374(18) 0.22(2) Uani 1 1 d .
H73A H 0.8867 0.2289 0.8228 0.269 Uiso 1 1 calc R
H73B H 0.8257 0.1862 0.8000 0.269 Uiso 1 1 calc R
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'
Cl Cl 0.1484 0.1585 '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'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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
O1 Sb5 O7 90.7(3) 3_656 .
O1 Sb5 O9 168.0(3) 3_656 .
O7 Sb5 O9 79.6(3) . .
O1 Sb5 O10 96.2(3) 3_656 .
O7 Sb5 O10 92.6(3) . .
O9 Sb5 O10 91.3(3) . .
O1 Sb5 O11 79.0(3) 3_656 .
O7 Sb5 O11 84.8(3) . .
O9 Sb5 O11 93.1(3) . .
O10 Sb5 O11 174.5(3) . .
O1 Sb5 C25 96.5(4) 3_656 .
O7 Sb5 C25 169.0(3) . .
O9 Sb5 C25 92.2(4) . .
O10 Sb5 C25 94.8(4) . .
O11 Sb5 C25 88.4(3) . .
O1 Sb5 Sb4 130.3(2) 3_656 .
O7 Sb5 Sb4 39.99(19) . .
O9 Sb5 Sb4 39.60(18) . .
O10 Sb5 Sb4 92.4(2) . .
O11 Sb5 Sb4 88.8(2) . .
C25 Sb5 Sb4 131.4(3) . .
O1 Sb5 Na1 58.7(2) 3_656 .
O7 Sb5 Na1 42.4(2) . .
O9 Sb5 Na1 109.38(19) . .
O10 Sb5 Na1 120.5(2) . .
O11 Sb5 Na1 54.7(2) . .
C25 Sb5 Na1 136.9(3) . .
Sb4 Sb5 Na1 74.90(7) . .
O4 Sb3 O3 96.6(3) . .
O4 Sb3 O8 91.9(3) . .
O3 Sb3 O8 163.9(3) . .
O4 Sb3 O12 169.8(3) . .
O3 Sb3 O12 90.5(3) . .
O8 Sb3 O12 79.6(3) . .
O4 Sb3 O5 81.4(3) . .
O3 Sb3 O5 77.5(3) . .
O8 Sb3 O5 90.4(3) . .
O12 Sb3 O5 93.1(3) . .
O4 Sb3 C13 93.1(4) . .
O3 Sb3 C13 95.8(3) . .
O8 Sb3 C13 97.3(3) . .
O12 Sb3 C13 93.4(4) . .
O5 Sb3 C13 170.7(3) . .
O4 Sb3 Sb1 37.79(18) . .
O3 Sb3 Sb1 90.4(2) . .
O8 Sb3 Sb1 88.0(2) . .
O12 Sb3 Sb1 135.3(2) . .
O5 Sb3 Sb1 43.8(2) . .
C13 Sb3 Sb1 130.9(3) . .
O4 Sb3 Sb6 140.7(2) . .
O3 Sb3 Sb6 122.5(2) . .
O8 Sb3 Sb6 49.3(2) . .
O12 Sb3 Sb6 32.2(2) . .
O5 Sb3 Sb6 101.99(19) . .
C13 Sb3 Sb6 87.0(3) . .
Sb1 Sb3 Sb6 128.98(3) . .
O4 Sb3 Na1 112.76(19) . .
O3 Sb3 Na1 91.6(2) . .
O8 Sb3 Na1 72.5(2) . .
O12 Sb3 Na1 59.6(2) . .
O5 Sb3 Na1 36.2(2) . .
C13 Sb3 Na1 152.0(3) . .
Sb1 Sb3 Na1 75.77(7) . .
Sb6 Sb3 Na1 66.39(6) . .
C55 Te3 C67 99.8(4) . .
C55 Te3 C61 94.3(4) . .
C67 Te3 C61 97.6(5) . .
O6 Sb4 O9 168.3(3) . .
O6 Sb4 O7 90.6(3) . .
O9 Sb4 O7 79.4(3) . .
O6 Sb4 O8 95.8(3) . .
O9 Sb4 O8 90.6(3) . .
O7 Sb4 O8 91.5(3) . .
O6 Sb4 O14 82.0(3) . 3_656
O9 Sb4 O14 91.0(3) . 3_656
O7 Sb4 O14 85.2(3) . 3_656
O8 Sb4 O14 176.0(3) . 3_656
O6 Sb4 C19 96.1(4) . .
O9 Sb4 C19 93.4(4) . .
O7 Sb4 C19 171.6(3) . .
O8 Sb4 C19 92.9(3) . .
O14 Sb4 C19 90.7(3) 3_656 .
O6 Sb4 Sb5 129.8(2) . .
O9 Sb4 Sb5 39.92(19) . .
O7 Sb4 Sb5 39.53(18) . .
O8 Sb4 Sb5 91.5(2) . .
O14 Sb4 Sb5 87.36(19) 3_656 .
C19 Sb4 Sb5 133.1(3) . .
O6 Sb4 Na1 59.53(19) . 3_656
O9 Sb4 Na1 108.77(19) . 3_656
O7 Sb4 Na1 42.0(2) . 3_656
O8 Sb4 Na1 119.8(2) . 3_656
O14 Sb4 Na1 56.1(2) 3_656 3_656
C19 Sb4 Na1 139.1(3) . 3_656
Sb5 Sb4 Na1 73.88(7) . 3_656
O6 Sb1 O1 88.4(3) . .
O6 Sb1 O2 167.3(3) . .
O1 Sb1 O2 90.4(3) . .
O6 Sb1 O4 90.5(3) . .
O1 Sb1 O4 166.9(3) . .
O2 Sb1 O4 87.8(3) . .
O6 Sb1 C1 96.6(4) . .
O1 Sb1 C1 94.0(3) . .
O2 Sb1 C1 96.2(4) . .
O4 Sb1 C1 99.1(3) . .
O6 Sb1 O5 89.1(3) . .
O1 Sb1 O5 88.6(3) . .
O2 Sb1 O5 78.2(3) . .
O4 Sb1 O5 78.3(3) . .
C1 Sb1 O5 173.9(3) . .
O6 Sb1 Sb3 86.36(19) . .
O1 Sb1 Sb3 129.7(2) . .
O2 Sb1 Sb3 84.6(2) . .
O4 Sb1 Sb3 37.2(2) . .
C1 Sb1 Sb3 136.3(3) . .
O5 Sb1 Sb3 41.40(16) . .
O2 Sb2 O3 98.5(3) . .
O2 Sb2 O10 90.1(3) . 3_656
O3 Sb2 O10 163.1(3) . 3_656
O2 Sb2 O13 167.8(3) . .
O3 Sb2 O13 91.2(3) . .
O10 Sb2 O13 78.7(3) 3_656 .
O2 Sb2 O5 81.5(3) . .
O3 Sb2 O5 77.6(3) . .
O10 Sb2 O5 89.5(3) 3_656 .
O13 Sb2 O5 93.5(3) . .
O2 Sb2 C7 91.4(4) . .
O3 Sb2 C7 94.4(4) . .
O10 Sb2 C7 99.8(3) 3_656 .
O13 Sb2 C7 95.2(4) . .
O5 Sb2 C7 168.3(3) . .
O14 Sb7 O15 94.2(3) . .
O14 Sb7 O13 97.9(3) . .
O15 Sb7 O13 93.4(3) . .
O14 Sb7 O10 89.9(3) . 3_656
O15 Sb7 O10 164.5(3) . 3_656
O13 Sb7 O10 71.3(3) . 3_656
O17 Te2 C49 90.4(4) . .
O17 Te2 C43 89.4(4) . .
C49 Te2 C43 91.7(5) . .
O17 Te2 O16 174.4(3) . .
C49 Te2 O16 87.8(4) . .
C43 Te2 O16 85.4(4) . .
O17 Te1 C31 90.9(4) . .
O17 Te1 C37 90.0(4) . .
C31 Te1 C37 95.7(4) . .
O17 Te1 O15 174.9(3) . .
C31 Te1 O15 88.4(4) . .
C37 Te1 O15 85.0(4) . .
Sb1 O6 Sb4 136.3(4) . .
Sb1 O6 Na1 104.5(3) . 3_656
Sb4 O6 Na1 85.7(2) . 3_656
Sb6 O11 Sb5 131.6(4) . .
Sb6 O11 Na1 110.5(3) . .
Sb5 O11 Na1 87.6(2) . .
Sb6 O12 Sb3 113.0(4) . .
Sb7 O13 Sb2 111.5(4) . .
Sb2 O5 Sb3 98.2(3) . .
Sb2 O5 Sb1 94.6(3) . .
Sb3 O5 Sb1 94.8(3) . .
Sb2 O5 Na1 113.1(3) . .
Sb3 O5 Na1 112.6(3) . .
Sb1 O5 Na1 136.5(3) . .
Sb5 O7 Sb4 100.5(3) . .
Sb5 O7 Na1 103.1(3) . .
Sb4 O7 Na1 129.3(3) . .
Sb5 O7 Na1 128.3(3) . 3_656
Sb4 O7 Na1 103.5(3) . 3_656
Na1 O7 Na1 95.9(3) . 3_656
Sb3 O8 Sb4 131.8(4) . .
Sb3 O8 Sb6 93.7(3) . .
Sb4 O8 Sb6 121.9(3) . .
Sb2 O2 Sb1 105.5(3) . .
Sb7 O15 Te1 118.2(4) . .
Sb4 O9 Sb5 100.5(3) . .
Sb3 O3 Sb2 105.4(3) . .
Sb3 O4 Sb1 105.0(3) . .
Te2 O17 Te1 107.6(4) . .
C8 C7 C12 118.2(10) . .
C8 C7 Sb2 122.6(8) . .
C12 C7 Sb2 119.0(8) . .
C14 C13 C18 118.4(10) . .
C14 C13 Sb3 120.1(8) . .
C18 C13 Sb3 121.5(8) . .
C49 C54 C53 120.0(13) . .
C49 C54 H54 120.0 . .
C53 C54 H54 120.0 . .
C10 C11 C12 120.7(11) . .
C10 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
C9 C8 C7 120.9(11) . .
C9 C8 H8 119.6 . .
C7 C8 H8 119.6 . .
C3 C2 C1 121.4(10) . .
C3 C2 H2 119.3 . .
C1 C2 H2 119.3 . .
C13 C14 C15 120.7(11) . .
C13 C14 H14 119.7 . .
C15 C14 H14 119.7 . .
C16 C17 C18 119.5(11) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
C38 C37 C42 119.5(13) . .
C38 C37 Te1 121.9(11) . .
C42 C37 Te1 118.6(10) . .
C2 C1 C6 117.9(10) . .
C2 C1 Sb1 119.7(8) . .
C6 C1 Sb1 122.4(8) . .
C8 C9 C10 119.6(11) . .
C8 C9 H9 120.2 . .
C10 C9 H9 120.2 . .
C17 C16 C15 121.4(10) . .
C17 C16 Br3 119.4(9) . .
C15 C16 Br3 119.2(9) . .
C17 C18 C13 121.2(11) . .
C17 C18 H18 119.4 . .
C13 C18 H18 119.4 . .
C24 C19 C20 117.2(10) . .
C24 C19 Sb4 123.4(8) . .
C20 C19 Sb4 119.4(8) . .
C50 C49 C54 119.0(12) . .
C50 C49 Te2 119.0(9) . .
C54 C49 Te2 121.9(10) . .
Sb5 O10 Sb2 132.3(4) . 3_656
Sb5 O10 Sb7 121.3(3) . 3_656
Sb2 O10 Sb7 94.5(3) 3_656 3_656
O16 Sb6 O11 95.0(3) . .
O16 Sb6 O12 95.8(3) . .
O11 Sb6 O12 97.2(3) . .
O16 Sb6 O8 165.8(3) . .
O11 Sb6 O8 88.0(3) . .
O12 Sb6 O8 70.1(3) . .
O16 Sb6 Sb3 129.0(2) . .
O11 Sb6 Sb3 101.6(2) . .
O12 Sb6 Sb3 34.8(2) . .
O8 Sb6 Sb3 36.95(16) . .
Sb5 O1 Sb1 135.3(4) 3_656 .
Sb5 O1 Na1 86.2(2) 3_656 3_656
Sb1 O1 Na1 105.7(3) . 3_656
Sb6 O16 Te2 117.8(3) . .
Sb7 O14 Sb4 131.8(4) . 3_656
Sb7 O14 Na1 109.4(3) . .
Sb4 O14 Na1 86.3(3) 3_656 .
C30 C25 C26 117.1(10) . .
C30 C25 Sb5 122.4(8) . .
C26 C25 Sb5 120.4(8) . .
C66 C61 C62 121.1(12) . .
C66 C61 Te3 122.6(10) . .
C62 C61 Te3 116.2(8) . .
C61 C66 C65 119.3(12) . .
C61 C66 H66 120.4 . .
C65 C66 H66 120.4 . .
C67 C68 C69 119.1(11) . .
C67 C68 H68 120.5 . .
C69 C68 H68 120.5 . .
C11 C10 C9 120.4(11) . .
C11 C10 Br2 119.7(9) . .
C9 C10 Br2 119.8(9) . .
C68 C67 C72 122.1(12) . .
C68 C67 Te3 116.9(9) . .
C72 C67 Te3 121.0(9) . .
C22 C21 C20 118.5(11) . .
C22 C21 H21 120.7 . .
C20 C21 H21 120.7 . .
C21 C22 C23 122.8(11) . .
C21 C22 Br4 118.2(9) . .
C23 C22 Br4 119.0(10) . .
C24 C23 C22 118.5(11) . .
C24 C23 H23 120.7 . .
C22 C23 H23 120.7 . .
C5 C6 C1 120.7(11) . .
C5 C6 H6 119.7 . .
C1 C6 H6 119.7 . .
C28 C29 C30 120.0(12) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C5 C4 C3 120.9(11) . .
C5 C4 Br1 121.2(9) . .
C3 C4 Br1 117.9(9) . .
C29 C30 C25 120.1(11) . .
C29 C30 H30 119.9 . .
C25 C30 H30 119.9 . .
C27 C26 C25 122.4(11) . .
C27 C26 H26 118.8 . .
C25 C26 H26 118.8 . .
C6 C5 C4 120.3(12) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C64 C65 C66 119.6(12) . .
C64 C65 H65 120.2 . .
C66 C65 H65 120.2 . .
C71 C70 C69 120.2(13) . .
C71 C70 H70 119.9 . .
C69 C70 H70 119.9 . .
C52 C53 C54 119.6(14) . .
C52 C53 H53 120.2 . .
C54 C53 H53 120.2 . .
C56 C57 C58 120.3(12) . .
C56 C57 H57 119.8 . .
C58 C57 H57 119.8 . .
C53 C52 C51 120.8(13) . .
C53 C52 H52 119.6 . .
C51 C52 H52 119.6 . .
C23 C24 C19 121.8(11) . .
C23 C24 H24 119.1 . .
C19 C24 H24 119.1 . .
C63 C62 C61 118.7(12) . .
C63 C62 H62 120.6 . .
C61 C62 H62 120.6 . .
C50 C51 C52 120.2(15) . .
C50 C51 H51 119.9 . .
C52 C51 H51 119.9 . .
C44 C43 C48 122.4(14) . .
C44 C43 Te2 119.3(11) . .
C48 C43 Te2 118.2(11) . .
C65 C64 C63 120.9(12) . .
C65 C64 H64 119.6 . .
C63 C64 H64 119.6 . .
C71 C72 C67 118.1(12) . .
C71 C72 H72 121.0 . .
C67 C72 H72 121.0 . .
C55 C60 C59 120.2(11) . .
C55 C60 H60 119.9 . .
C59 C60 H60 119.9 . .
C57 C56 C55 119.1(12) . .
C57 C56 H56 120.4 . .
C55 C56 H56 120.4 . .
C60 C55 C56 120.0(11) . .
C60 C55 Te3 117.4(8) . .
C56 C55 Te3 122.5(9) . .
C4 C3 C2 118.7(11) . .
C4 C3 H3 120.6 . .
C2 C3 H3 120.6 . .
C31 C36 C35 118.6(16) . .
C31 C36 H36 120.7 . .
C35 C36 H36 120.7 . .
C68 C69 C70 119.5(12) . .
C68 C69 H69 120.3 . .
C70 C69 H69 120.3 . .
C21 C20 C19 121.2(12) . .
C21 C20 H20 119.4 . .
C19 C20 H20 119.4 . .
C64 C63 C62 120.4(12) . .
C64 C63 H63 119.8 . .
C62 C63 H63 119.8 . .
C33 C34 C35 120.4(15) . .
C33 C34 H34 119.8 . .
C35 C34 H34 119.8 . .
C47 C48 C43 118.7(17) . .
C47 C48 H48 120.6 . .
C43 C48 H48 120.6 . .
C40 C39 C38 119.1(16) . .
C40 C39 H39 120.5 . .
C38 C39 H39 120.5 . .
C32 C31 C36 119.6(12) . .
C32 C31 Te1 121.1(9) . .
C36 C31 Te1 119.2(10) . .
C37 C38 C39 121.2(16) . .
C37 C38 H38 119.4 . .
C39 C38 H38 119.4 . .
C41 C42 C37 118.6(15) . .
C41 C42 H42 120.7 . .
C37 C42 H42 120.7 . .
C72 C71 C70 120.9(12) . .
C72 C71 H71 119.5 . .
C70 C71 H71 119.5 . .
C45 C44 C43 118.6(19) . .
C45 C44 H44 120.7 . .
C43 C44 H44 120.7 . .
C34 C35 C36 118.7(16) . .
C34 C35 H35 120.6 . .
C36 C35 H35 120.6 . .
C16 C15 C14 118.8(11) . .
C16 C15 H15 120.6 . .
C14 C15 H15 120.6 . .
C51 C50 C49 120.5(14) . .
C51 C50 H50 119.8 . .
C49 C50 H50 119.8 . .
C34 C33 C32 123.9(16) . .
C34 C33 H33 118.1 . .
C32 C33 H33 118.1 . .
C33 C32 C31 118.7(14) . .
C33 C32 H32 120.6 . .
C31 C32 H32 120.6 . .
C39 C40 C41 121.9(16) . .
C39 C40 H40 119.1 . .
C41 C40 H40 119.1 . .
C40 C41 C42 119.6(17) . .
C40 C41 H41 120.2 . .
C42 C41 H41 120.2 . .
C11 C12 C7 120.2(10) . .
C11 C12 H12 119.9 . .
C7 C12 H12 119.9 . .
C58 C59 C60 118.9(13) . .
C58 C59 H59 120.5 . .
C60 C59 H59 120.5 . .
C59 C58 C57 121.4(13) . .
C59 C58 H58 119.3 . .
C57 C58 H58 119.3 . .
C26 C27 C28 118.4(11) . .
C26 C27 H27 120.8 . .
C28 C27 H27 120.8 . .
C29 C28 C27 121.9(12) . .
C29 C28 Br5 119.9(10) . .
C27 C28 Br5 118.2(10) . .
O7 Na1 O7 84.1(3) . 3_656
O7 Na1 O5 83.0(3) . .
O7 Na1 O5 83.5(3) 3_656 .
O7 Na1 O18 121.3(3) . .
O7 Na1 O18 120.5(3) 3_656 .
O5 Na1 O18 145.3(3) . .
O7 Na1 O11 63.8(2) . .
O7 Na1 O11 144.5(3) 3_656 .
O5 Na1 O11 105.8(3) . .
O18 Na1 O11 70.0(3) . .
O7 Na1 O14 144.7(3) . .
O7 Na1 O14 63.3(2) 3_656 .
O5 Na1 O14 105.0(3) . .
O18 Na1 O14 70.5(3) . .
O11 Na1 O14 140.4(3) . .
O7 Na1 O1 63.2(2) . 3_656
O7 Na1 O1 99.4(2) 3_656 3_656
O5 Na1 O1 145.4(3) . 3_656
O18 Na1 O1 60.7(2) . 3_656
O11 Na1 O1 53.7(2) . 3_656
O14 Na1 O1 107.1(2) . 3_656
O7 Na1 O6 99.8(2) . 3_656
O7 Na1 O6 62.6(2) 3_656 3_656
O5 Na1 O6 145.3(3) . 3_656
O18 Na1 O6 60.6(2) . 3_656
O11 Na1 O6 106.3(2) . 3_656
O14 Na1 O6 54.4(2) . 3_656
O1 Na1 O6 55.35(19) 3_656 3_656
O7 Na1 Sb5 34.48(17) . .
O7 Na1 Sb5 106.8(2) 3_656 .
O5 Na1 Sb5 110.8(2) . .
O18 Na1 Sb5 87.2(2) . .
O11 Na1 Sb5 37.67(15) . .
O14 Na1 Sb5 141.59(19) . .
O1 Na1 Sb5 35.15(14) 3_656 .
O6 Na1 Sb5 87.54(17) 3_656 .
O7 Na1 Sb4 107.3(2) . 3_656
O7 Na1 Sb4 34.51(18) 3_656 3_656
O5 Na1 Sb4 111.1(2) . 3_656
O18 Na1 Sb4 86.4(2) . 3_656
O11 Na1 Sb4 140.6(2) . 3_656
O14 Na1 Sb4 37.53(15) . 3_656
O1 Na1 Sb4 87.40(16) 3_656 3_656
O6 Na1 Sb4 34.82(13) 3_656 3_656
Sb5 Na1 Sb4 113.13(12) . 3_656
O7 Na1 Na1 42.08(19) . 3_656
O7 Na1 Na1 42.00(19) 3_656 3_656
O5 Na1 Na1 80.9(2) . 3_656
O18 Na1 Na1 133.8(3) . 3_656
O11 Na1 Na1 104.6(2) . 3_656
O14 Na1 Na1 104.3(2) . 3_656
O1 Na1 Na1 78.9(2) 3_656 3_656
O6 Na1 Na1 78.76(19) 3_656 3_656
Sb5 Na1 Na1 68.91(14) . 3_656
Sb4 Na1 Na1 69.21(12) 3_656 3_656
O7 Na1 Sb3 80.01(18) . .
O7 Na1 Sb3 113.9(2) 3_656 .
O5 Na1 Sb3 31.22(16) . .
O18 Na1 Sb3 122.5(2) . .
O11 Na1 Sb3 76.79(17) . .
O14 Na1 Sb3 124.12(19) . .
O1 Na1 Sb3 127.03(18) 3_656 .
O6 Na1 Sb3 176.53(19) 3_656 .
Sb5 Na1 Sb3 94.15(10) . .
Sb4 Na1 Sb3 141.90(13) 3_656 .
Na1 Na1 Sb3 99.02(16) 3_656 .
C44 C45 C46 117(2) . .
C44 C45 H45 121.6 . .
C46 C45 H45 121.6 . .
C46 C47 C48 119.2(18) . .
C46 C47 H47 120.4 . .
C48 C47 H47 120.4 . .
C47 C46 C45 124.0(19) . .
C47 C46 H46 118.0 . .
C45 C46 H46 118.0 . .
Cl3 C74 Cl4 90(2) . .
Cl3 C74 H74A 113.7 . .
Cl4 C74 H74A 113.7 . .
Cl3 C74 H74B 113.7 . .
Cl4 C74 H74B 113.7 . .
H74A C74 H74B 110.9 . .
Cl1 C73 Cl2 116(2) . .
Cl1 C73 H73A 108.3 . .
Cl2 C73 H73A 108.3 . .
Cl1 C73 H73B 108.3 . .
Cl2 C73 H73B 108.3 . .
H73A C73 H73B 107.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb5 O1 1.962(7) 3_656
Sb5 O7 1.977(6) .
Sb5 O9 1.993(7) .
Sb5 O10 2.004(7) .
Sb5 O11 2.080(7) .
Sb5 C25 2.097(11) .
Sb5 Sb4 3.0543(10) .
Sb5 Na1 3.401(4) .
Sb3 O4 1.969(7) .
Sb3 O3 1.978(7) .
Sb3 O8 1.984(7) .
Sb3 O12 2.044(7) .
Sb3 O5 2.088(6) .
Sb3 C13 2.120(10) .
Sb3 Sb1 3.1461(10) .
Sb3 Sb6 3.2942(10) .
Sb3 Na1 3.719(4) .
Te3 C55 2.112(11) .
Te3 C67 2.113(12) .
Te3 C61 2.130(12) .
Sb4 O6 1.962(7) .
Sb4 O9 1.980(6) .
Sb4 O7 1.996(7) .
Sb4 O8 2.017(7) .
Sb4 O14 2.091(7) 3_656
Sb4 C19 2.102(10) .
Sb4 Na1 3.426(4) 3_656
Sb1 O6 1.946(7) .
Sb1 O1 1.966(6) .
Sb1 O2 1.984(7) .
Sb1 O4 1.996(6) .
Sb1 C1 2.119(11) .
Sb1 O5 2.186(7) .
Sb2 O2 1.955(7) .
Sb2 O3 1.981(7) .
Sb2 O10 2.006(7) 3_656
Sb2 O13 2.039(7) .
Sb2 O5 2.081(7) .
Sb2 C7 2.109(11) .
Sb7 O14 1.849(7) .
Sb7 O15 1.875(8) .
Sb7 O13 1.915(7) .
Sb7 O10 2.428(7) 3_656
Te2 O17 2.008(8) .
Te2 C49 2.123(12) .
Te2 C43 2.131(13) .
Te2 O16 2.258(8) .
Te1 O17 2.053(8) .
Te1 C31 2.128(12) .
Te1 C37 2.129(12) .
Te1 O15 2.175(8) .
Br3 C16 1.897(10) .
Br2 C10 1.897(11) .
Br5 C28 1.892(12) .
Br1 C4 1.895(11) .
O6 Na1 2.962(7) 3_656
O11 Sb6 1.871(7) .
O11 Na1 2.779(8) .
O12 Sb6 1.906(7) .
O5 Na1 2.379(8) .
O7 Na1 2.355(9) .
O7 Na1 2.359(8) 3_656
O8 Sb6 2.504(7) .
C7 C8 1.386(15) .
C7 C12 1.405(15) .
C13 C14 1.376(15) .
C13 C18 1.383(15) .
C54 C49 1.384(17) .
C54 C53 1.390(17) .
C54 H54 0.9300 .
C11 C10 1.357(16) .
C11 C12 1.363(15) .
C11 H11 0.9300 .
C8 C9 1.368(16) .
C8 H8 0.9300 .
C2 C3 1.382(16) .
C2 C1 1.388(15) .
C2 H2 0.9300 .
C14 C15 1.400(15) .
C14 H14 0.9300 .
C17 C16 1.363(17) .
C17 C18 1.373(15) .
C17 H17 0.9300 .
C37 C38 1.338(18) .
C37 C42 1.413(19) .
C1 C6 1.397(15) .
C9 C10 1.381(16) .
C9 H9 0.9300 .
C16 C15 1.364(17) .
C18 H18 0.9300 .
C19 C24 1.392(15) .
C19 C20 1.412(15) .
C49 C50 1.364(18) .
O10 Sb2 2.006(7) 3_656
O10 Sb7 2.428(7) 3_656
Sb6 O16 1.865(7) .
O1 Sb5 1.962(7) 3_656
O1 Na1 2.912(8) 3_656
O14 Sb4 2.091(7) 3_656
O14 Na1 2.851(8) .
C25 C30 1.407(15) .
C25 C26 1.408(15) .
C61 C66 1.361(16) .
C61 C62 1.392(17) .
C66 C65 1.402(17) .
C66 H66 0.9300 .
C68 C67 1.366(16) .
C68 C69 1.384(17) .
C68 H68 0.9300 .
C67 C72 1.388(16) .
C21 C22 1.345(18) .
C21 C20 1.391(16) .
C21 H21 0.9300 .
C22 C23 1.386(17) .
C22 Br4 1.909(12) .
C23 C24 1.368(15) .
C23 H23 0.9300 .
C6 C5 1.365(17) .
C6 H6 0.9300 .
C29 C28 1.360(18) .
C29 C30 1.379(17) .
C29 H29 0.9300 .
C4 C5 1.366(17) .
C4 C3 1.375(16) .
C30 H30 0.9300 .
C26 C27 1.356(17) .
C26 H26 0.9300 .
C5 H5 0.9300 .
C65 C64 1.364(18) .
C65 H65 0.9300 .
C70 C71 1.374(18) .
C70 C69 1.389(17) .
C70 H70 0.9300 .
C53 C52 1.33(2) .
C53 H53 0.9300 .
C57 C56 1.371(18) .
C57 C58 1.372(19) .
C57 H57 0.9300 .
C52 C51 1.37(2) .
C52 H52 0.9300 .
C24 H24 0.9300 .
C62 C63 1.381(18) .
C62 H62 0.9300 .
C51 C50 1.360(18) .
C51 H51 0.9300 .
C43 C44 1.38(2) .
C43 C48 1.391(19) .
C64 C63 1.368(18) .
C64 H64 0.9300 .
C72 C71 1.369(18) .
C72 H72 0.9300 .
C60 C55 1.376(16) .
C60 C59 1.391(17) .
C60 H60 0.9300 .
C56 C55 1.396(15) .
C56 H56 0.9300 .
C3 H3 0.9300 .
C36 C31 1.380(18) .
C36 C35 1.41(2) .
C36 H36 0.9300 .
C69 H69 0.9300 .
C20 H20 0.9300 .
C63 H63 0.9300 .
C34 C33 1.29(2) .
C34 C35 1.37(2) .
C34 H34 0.9300 .
C48 C47 1.35(2) .
C48 H48 0.9300 .
C39 C40 1.34(2) .
C39 C38 1.40(2) .
C39 H39 0.9300 .
C31 C32 1.371(17) .
C38 H38 0.9300 .
C42 C41 1.39(2) .
C42 H42 0.9300 .
C71 H71 0.9300 .
C44 C45 1.36(2) .
C44 H44 0.9300 .
C35 H35 0.9300 .
C15 H15 0.9300 .
C50 H50 0.9300 .
C33 C32 1.345(18) .
C33 H33 0.9300 .
C32 H32 0.9300 .
C40 C41 1.36(2) .
C40 H40 0.9300 .
C41 H41 0.9300 .
C12 H12 0.9300 .
C59 C58 1.362(18) .
C59 H59 0.9300 .
C58 H58 0.9300 .
C27 C28 1.378(18) .
C27 H27 0.9300 .
Na1 O7 2.359(8) 3_656
Na1 O18 2.494(9) .
Na1 O1 2.912(8) 3_656
Na1 O6 2.962(7) 3_656
Na1 Sb4 3.426(4) 3_656
Na1 Na1 3.501(9) 3_656
Cl3 C74 1.68(3) .
C45 C46 1.42(3) .
C45 H45 0.9300 .
C47 C46 1.32(3) .
C47 H47 0.9300 .
C46 H46 0.9300 .
Cl2 C73 1.82(3) .
Cl4 C74 2.38(6) .
C74 H74A 0.9700 .
C74 H74B 0.9700 .
Cl1 C73 1.52(3) .
C73 H73A 0.9700 .
C73 H73B 0.9700 .
