#------------------------------------------------------------------------------
#$Date: 2022-01-07 01:03:47 +0200 (Fri, 07 Jan 2022) $
#$Revision: 271896 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/39/2243974.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2243974
loop_
_publ_author_name
'Domasevitch, Kostiantyn V.'
'Senchyk, Ganna A.'
_publ_section_title
;
 Tris[triphenylantimony(V)]hexa(μ-oxido)tellurium(VI): a molecular
 complex with six Te---O---Sb bridges
;
_journal_coeditor_code           CQ2048
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1229
_journal_page_last               1233
_journal_paper_doi               10.1107/S2056989021011294
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          '[Sb3 Te (C6 H5)9 O6]'
_chemical_formula_moiety         'C54 H45 O6 Sb3 Te'
_chemical_formula_sum            'C54 H45 O6 Sb3 Te'
_chemical_formula_weight         1282.75
_chemical_name_common
;
Tris[triphenylantimony(V)]-hexa-(μ-oxido)tellurate(VI)
;
_chemical_name_systematic
Hexa-μ-oxido-1:2κ⁴O:O;1:3κ⁴O:O;1:4κ⁴O:O-nonaphenyl-2κ³C,3κ³C,4κ³C-triantimony(V)tellurium(VI)
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/1
_cell_angle_alpha                90
_cell_angle_beta                 104.168(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   47.714(2)
_cell_length_b                   9.1176(4)
_cell_length_c                   22.9324(10)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.240
_cell_measurement_theta_min      2.209
_cell_volume                     9673.0(7)
_computing_cell_refinement
;
IPDS Software (Stoe & Cie, 2000)
;
_computing_data_collection
;
IPDS Software (Stoe & Cie, 2000)
;
_computing_data_reduction
;
IPDS Software (Stoe & Cie, 2000)
;
_computing_molecular_graphics
;
DIAMOND  (Brandenburg, 1999)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXL2018/1 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       'φ oscillation scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_limit_h_max       61
_diffrn_reflns_limit_h_min       -61
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29796
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.240
_diffrn_reflns_theta_min         2.209
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.305
_exptl_absorpt_correction_T_max  0.5721
_exptl_absorpt_correction_T_min  0.4987
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
[X-RED (Stoe & Cie, 2001) and X-SHAPE (Stoe & Cie, 1999)]
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_description       prism
_exptl_crystal_F_000             4976
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.210
_refine_diff_density_max         1.001
_refine_diff_density_min         -1.241
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.928
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         10754
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.928
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0636P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0914
_refine_ls_wR_factor_ref         0.0963
_reflns_number_gt                8356
_reflns_number_total             10754
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cq2048sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        9672.9(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2243974
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.565
_shelx_estimated_absorpt_t_max   0.643
loop_
_space_group_symop_operation_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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Te Te1 0.11716(2) 0.68140(3) 0.04796(2) 0.02091(7) Uani d 1 . .
Sb Sb1 0.07040(2) 0.57473(3) -0.06047(2) 0.02250(7) Uani d 1 . .
Sb Sb2 0.17996(2) 0.60629(3) 0.04935(2) 0.02511(8) Uani d 1 . .
Sb Sb3 0.11281(2) 0.81559(3) 0.16789(2) 0.02307(8) Uani d 1 . .
O O1 0.10263(7) 0.7188(3) -0.03781(13) 0.0251(6) Uani d 1 . .
O O2 0.08497(7) 0.5513(3) 0.03277(13) 0.0242(6) Uani d 1 . .
O O3 0.14157(7) 0.5152(3) 0.03645(14) 0.0272(7) Uani d 1 . .
O O4 0.15241(7) 0.7840(3) 0.04941(14) 0.0259(6) Uani d 1 . .
O O5 0.09873(7) 0.8455(3) 0.07399(13) 0.0242(6) Uani d 1 . .
O O6 0.12791(7) 0.6419(3) 0.13479(13) 0.0256(6) Uani d 1 . .
C C1 0.02873(10) 0.6340(5) -0.0526(2) 0.0283(9) Uani d 1 . .
C C2 0.02482(13) 0.7519(6) -0.0164(3) 0.0481(14) Uani d 1 . .
H H2 0.040997 0.806533 0.005257 0.058 Uiso calc 1 . .
C C3 -0.00268(15) 0.7882(7) -0.0124(3) 0.0578(17) Uani d 1 . .
H H3 -0.005373 0.870350 0.011127 0.069 Uiso calc 1 . .
C C4 -0.02669(13) 0.7065(7) -0.0423(3) 0.0523(16) Uani d 1 . .
H H4 -0.045521 0.731029 -0.038595 0.063 Uiso calc 1 . .
C C5 -0.02249(12) 0.5895(7) -0.0773(3) 0.0491(14) Uani d 1 . .
H H5 -0.038624 0.533456 -0.098183 0.059 Uiso calc 1 . .
C C6 0.00518(11) 0.5525(6) -0.0826(2) 0.0392(12) Uani d 1 . .
H H6 0.007804 0.471373 -0.106653 0.047 Uiso calc 1 . .
C C7 0.06772(10) 0.6452(5) -0.15228(19) 0.0279(9) Uani d 1 . .
C C8 0.04299(14) 0.7081(8) -0.1870(3) 0.0572(17) Uani d 1 . .
H H8 0.026270 0.718276 -0.171824 0.069 Uiso calc 1 . .
C C9 0.04280(16) 0.7567(10) -0.2448(3) 0.075(2) Uani d 1 . .
H H9 0.025760 0.799698 -0.269074 0.090 Uiso calc 1 . .
C C10 0.06683(17) 0.7434(9) -0.2672(3) 0.065(2) Uani d 1 . .
H H10 0.066485 0.775560 -0.306753 0.078 Uiso calc 1 . .
C C11 0.09166(15) 0.6821(7) -0.2310(3) 0.0541(16) Uani d 1 . .
H H11 0.108536 0.673533 -0.245738 0.065 Uiso calc 1 . .
C C12 0.09213(13) 0.6338(7) -0.1741(2) 0.0453(13) Uani d 1 . .
H H12 0.109299 0.592438 -0.149739 0.054 Uiso calc 1 . .
C C13 0.07579(10) 0.3464(5) -0.0738(2) 0.0253(9) Uani d 1 . .
C C14 0.06436(11) 0.2885(5) -0.1306(2) 0.0332(11) Uani d 1 . .
H H14 0.055396 0.351604 -0.162692 0.040 Uiso calc 1 . .
C C15 0.06591(12) 0.1384(5) -0.1409(2) 0.0381(12) Uani d 1 . .
H H15 0.057839 0.098566 -0.179658 0.046 Uiso calc 1 . .
C C16 0.07947(13) 0.0479(5) -0.0935(3) 0.0418(13) Uani d 1 . .
H H16 0.080622 -0.054577 -0.100017 0.050 Uiso calc 1 . .
C C17 0.09124(13) 0.1054(5) -0.0373(2) 0.0392(12) Uani d 1 . .
H H17 0.100771 0.042865 -0.005505 0.047 Uiso calc 1 . .
C C18 0.08920(12) 0.2546(5) -0.0271(2) 0.0351(11) Uani d 1 . .
H H18 0.097003 0.293822 0.011831 0.042 Uiso calc 1 . .
C C19 0.19842(11) 0.3885(5) 0.0503(2) 0.0339(11) Uani d 1 . .
C C20 0.17987(13) 0.2677(5) 0.0376(2) 0.0398(12) Uani d 1 . .
H H20 0.159550 0.282526 0.028564 0.048 Uiso calc 1 . .
C C21 0.19088(16) 0.1249(7) 0.0382(3) 0.0596(18) Uani d 1 . .
H H21 0.178264 0.042909 0.029335 0.071 Uiso calc 1 . .
C C22 0.22051(19) 0.1063(7) 0.0519(4) 0.074(2) Uani d 1 . .
H H22 0.228237 0.010132 0.052558 0.089 Uiso calc 1 . .
C C23 0.23914(15) 0.2243(8) 0.0646(3) 0.0610(19) Uani d 1 . .
H H23 0.259449 0.209139 0.073495 0.073 Uiso calc 1 . .
C C24 0.22796(13) 0.3664(7) 0.0644(3) 0.0454(13) Uani d 1 . .
H H24 0.240714 0.447647 0.074062 0.054 Uiso calc 1 . .
C C25 0.19205(10) 0.7018(5) -0.0260(2) 0.0296(10) Uani d 1 . .
C C26 0.21692(14) 0.6580(8) -0.0415(3) 0.0564(17) Uani d 1 . .
H H26 0.228689 0.583115 -0.019206 0.068 Uiso calc 1 . .
C C27 0.22468(14) 0.7237(9) -0.0897(3) 0.0628(19) Uani d 1 . .
H H27 0.242017 0.694453 -0.099821 0.075 Uiso calc 1 . .
C C28 0.20786(15) 0.8293(7) -0.1229(3) 0.0537(16) Uani d 1 . .
H H28 0.213614 0.875525 -0.155249 0.064 Uiso calc 1 . .
C C29 0.18223(19) 0.8685(9) -0.1089(3) 0.073(2) Uani d 1 . .
H H29 0.169940 0.939138 -0.132870 0.088 Uiso calc 1 . .
C C30 0.17436(15) 0.8053(7) -0.0601(3) 0.0571(17) Uani d 1 . .
H H30 0.156880 0.833491 -0.050383 0.068 Uiso calc 1 . .
C C31 0.20271(10) 0.6711(6) 0.1384(2) 0.0324(10) Uani d 1 . .
C C32 0.21543(12) 0.5654(7) 0.1800(2) 0.0436(13) Uani d 1 . .
H H32 0.215506 0.465302 0.168523 0.052 Uiso calc 1 . .
C C33 0.22812(15) 0.6083(9) 0.2390(3) 0.0637(19) Uani d 1 . .
H H33 0.237072 0.537143 0.267874 0.076 Uiso calc 1 . .
C C34 0.22770(15) 0.7527(10) 0.2555(3) 0.071(2) Uani d 1 . .
H H34 0.236135 0.780978 0.295823 0.085 Uiso calc 1 . .
C C35 0.21508(13) 0.8571(8) 0.2136(3) 0.0560(16) Uani d 1 . .
H H35 0.215294 0.957248 0.225207 0.067 Uiso calc 1 . .
C C36 0.20219(12) 0.8174(6) 0.1554(3) 0.0425(13) Uani d 1 . .
H H36 0.193028 0.889105 0.127008 0.051 Uiso calc 1 . .
C C37 0.13421(11) 0.7432(5) 0.2576(2) 0.0302(10) Uani d 1 . .
C C38 0.15596(16) 0.6418(7) 0.2671(3) 0.0572(18) Uani d 1 . .
H H38 0.162176 0.601976 0.234131 0.069 Uiso calc 1 . .
C C39 0.1691(2) 0.5966(8) 0.3264(3) 0.079(3) Uani d 1 . .
H H39 0.183498 0.522309 0.332976 0.095 Uiso calc 1 . .
C C40 0.16135(16) 0.6588(8) 0.3746(3) 0.0568(17) Uani d 1 . .
H H40 0.170279 0.628873 0.414496 0.068 Uiso calc 1 . .
C C41 0.14045(14) 0.7650(7) 0.3639(2) 0.0484(14) Uani d 1 . .
H H41 0.135249 0.810505 0.397014 0.058 Uiso calc 1 . .
C C42 0.12681(13) 0.8076(6) 0.3065(2) 0.0428(13) Uani d 1 . .
H H42 0.112290 0.881184 0.300325 0.051 Uiso calc 1 . .
C C43 0.12967(10) 1.0318(5) 0.1727(2) 0.0273(9) Uani d 1 . .
C C44 0.15430(12) 1.0674(5) 0.2163(3) 0.0393(12) Uani d 1 . .
H H44 0.163334 0.996960 0.245419 0.047 Uiso calc 1 . .
C C45 0.16574(14) 1.2099(6) 0.2169(3) 0.0506(15) Uani d 1 . .
H H45 0.183074 1.235275 0.245520 0.061 Uiso calc 1 . .
C C46 0.15185(13) 1.3118(6) 0.1761(3) 0.0442(13) Uani d 1 . .
H H46 0.160002 1.406821 0.176095 0.053 Uiso calc 1 . .
C C47 0.12629(14) 1.2793(5) 0.1352(2) 0.0421(13) Uani d 1 . .
H H47 0.116082 1.353112 0.109215 0.050 Uiso calc 1 . .
C C48 0.11567(12) 1.1371(5) 0.1323(2) 0.0341(11) Uani d 1 . .
H H48 0.098727 1.111817 0.102554 0.041 Uiso calc 1 . .
C C49 0.06918(10) 0.8064(5) 0.1725(2) 0.0313(10) Uani d 1 . .
C C50 0.04935(12) 0.9103(6) 0.1435(3) 0.0455(13) Uani d 1 . .
H H50 0.055228 0.985429 0.120348 0.055 Uiso calc 1 . .
C C51 0.02094(13) 0.9043(8) 0.1483(3) 0.0571(17) Uani d 1 . .
H H51 0.007406 0.975992 0.128787 0.069 Uiso calc 1 . .
C C52 0.01240(14) 0.7942(9) 0.1813(3) 0.0604(19) Uani d 1 . .
H H52 -0.006883 0.791890 0.185752 0.072 Uiso calc 1 . .
C C53 0.03177(14) 0.6876(8) 0.2080(3) 0.0540(17) Uani d 1 . .
H H53 0.025482 0.608218 0.228399 0.065 Uiso calc 1 . .
C C54 0.06031(13) 0.6957(6) 0.2051(2) 0.0416(12) Uani d 1 . .
H H54 0.073856 0.625189 0.225552 0.050 Uiso calc 1 . .
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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O2 Te1 O5 . . 97.67(13) y
O2 Te1 O4 . . 166.37(13) y
O5 Te1 O4 . . 94.67(13) y
O2 Te1 O1 . . 81.53(12) y
O5 Te1 O1 . . 95.83(13) y
O4 Te1 O1 . . 91.49(13) y
O2 Te1 O6 . . 94.01(13) y
O5 Te1 O6 . . 81.51(12) y
O4 Te1 O6 . . 93.53(13) y
O1 Te1 O6 . . 174.49(13) y
O2 Te1 O3 . . 88.47(13) y
O5 Te1 O3 . . 168.81(13) y
O4 Te1 O3 . . 80.35(12) y
O1 Te1 O3 . . 94.32(13) y
O6 Te1 O3 . . 88.77(13) y
O1 Sb1 O2 . . 76.01(12) y
O1 Sb1 C1 . . 119.50(15) y
O2 Sb1 C1 . . 91.35(15) y
O1 Sb1 C13 . . 124.71(15) y
O2 Sb1 C13 . . 91.45(14) y
C1 Sb1 C13 . . 114.34(17) y
O1 Sb1 C7 . . 85.22(15) y
O2 Sb1 C7 . . 161.09(15) y
C1 Sb1 C7 . . 99.99(18) y
C13 Sb1 C7 . . 97.49(17) y
O3 Sb2 O4 . . 76.38(12) y
O3 Sb2 C25 . . 118.46(16) y
O4 Sb2 C25 . . 88.80(15) y
O3 Sb2 C31 . . 119.67(17) y
O4 Sb2 C31 . . 87.58(16) y
C25 Sb2 C31 . . 118.87(19) y
O3 Sb2 C19 . . 88.62(17) y
O4 Sb2 C19 . . 164.73(16) y
C25 Sb2 C19 . . 101.04(18) y
C31 Sb2 C19 . . 97.6(2) y
O6 Sb3 O5 . . 76.45(12) y
O6 Sb3 C49 . . 116.47(16) y
O5 Sb3 C49 . . 89.13(16) y
O6 Sb3 C43 . . 126.74(16) y
O5 Sb3 C43 . . 87.41(15) y
C49 Sb3 C43 . . 113.58(18) y
O6 Sb3 C37 . . 89.39(16) y
O5 Sb3 C37 . . 165.43(16) y
C49 Sb3 C37 . . 100.46(19) y
C43 Sb3 C37 . . 98.58(17) y
Te1 O1 Sb1 . . 102.08(13) y
Te1 O2 Sb1 . . 100.07(13) y
Sb2 O3 Te1 . . 102.41(13) y
Te1 O4 Sb2 . . 99.85(12) y
Te1 O5 Sb3 . . 99.33(13) y
Te1 O6 Sb3 . . 102.36(14) y
C6 C1 C2 . . 119.8(5) ?
C6 C1 Sb1 . . 119.3(4) ?
C2 C1 Sb1 . . 120.8(4) ?
C3 C2 C1 . . 119.4(6) ?
C3 C2 H2 . . 120.3 ?
C1 C2 H2 . . 120.3 ?
C2 C3 C4 . . 121.2(6) ?
C2 C3 H3 . . 119.4 ?
C4 C3 H3 . . 119.4 ?
C5 C4 C3 . . 118.7(6) ?
C5 C4 H4 . . 120.7 ?
C3 C4 H4 . . 120.7 ?
C4 C5 C6 . . 120.8(5) ?
C4 C5 H5 . . 119.6 ?
C6 C5 H5 . . 119.6 ?
C1 C6 C5 . . 119.9(5) ?
C1 C6 H6 . . 120.0 ?
C5 C6 H6 . . 120.0 ?
C8 C7 C12 . . 120.1(5) ?
C8 C7 Sb1 . . 121.5(4) ?
C12 C7 Sb1 . . 118.3(4) ?
C7 C8 C9 . . 119.2(6) ?
C7 C8 H8 . . 120.4 ?
C9 C8 H8 . . 120.4 ?
C10 C9 C8 . . 121.0(6) ?
C10 C9 H9 . . 119.5 ?
C8 C9 H9 . . 119.5 ?
C9 C10 C11 . . 118.8(6) ?
C9 C10 H10 . . 120.6 ?
C11 C10 H10 . . 120.6 ?
C12 C11 C10 . . 120.8(6) ?
C12 C11 H11 . . 119.6 ?
C10 C11 H11 . . 119.6 ?
C11 C12 C7 . . 120.2(5) ?
C11 C12 H12 . . 119.9 ?
C7 C12 H12 . . 119.9 ?
C18 C13 C14 . . 119.7(4) ?
C18 C13 Sb1 . . 122.0(3) ?
C14 C13 Sb1 . . 118.3(3) ?
C13 C14 C15 . . 120.6(4) ?
C13 C14 H14 . . 119.7 ?
C15 C14 H14 . . 119.7 ?
C16 C15 C14 . . 118.9(5) ?
C16 C15 H15 . . 120.5 ?
C14 C15 H15 . . 120.5 ?
C17 C16 C15 . . 120.7(4) ?
C17 C16 H16 . . 119.7 ?
C15 C16 H16 . . 119.7 ?
C16 C17 C18 . . 120.1(5) ?
C16 C17 H17 . . 120.0 ?
C18 C17 H17 . . 120.0 ?
C13 C18 C17 . . 120.0(5) ?
C13 C18 H18 . . 120.0 ?
C17 C18 H18 . . 120.0 ?
C24 C19 C20 . . 119.4(5) ?
C24 C19 Sb2 . . 121.6(4) ?
C20 C19 Sb2 . . 118.9(4) ?
C19 C20 C21 . . 120.8(6) ?
C19 C20 H20 . . 119.6 ?
C21 C20 H20 . . 119.6 ?
C22 C21 C20 . . 118.4(7) ?
C22 C21 H21 . . 120.8 ?
C20 C21 H21 . . 120.8 ?
C23 C22 C21 . . 121.5(6) ?
C23 C22 H22 . . 119.2 ?
C21 C22 H22 . . 119.2 ?
C22 C23 C24 . . 119.7(6) ?
C22 C23 H23 . . 120.2 ?
C24 C23 H23 . . 120.2 ?
C19 C24 C23 . . 120.1(6) ?
C19 C24 H24 . . 119.9 ?
C23 C24 H24 . . 119.9 ?
C30 C25 C26 . . 119.9(5) ?
C30 C25 Sb2 . . 119.3(4) ?
C26 C25 Sb2 . . 120.7(4) ?
C25 C26 C27 . . 119.7(6) ?
C25 C26 H26 . . 120.1 ?
C27 C26 H26 . . 120.1 ?
C28 C27 C26 . . 121.1(6) ?
C28 C27 H27 . . 119.5 ?
C26 C27 H27 . . 119.5 ?
C27 C28 C29 . . 119.1(6) ?
C27 C28 H28 . . 120.4 ?
C29 C28 H28 . . 120.4 ?
C28 C29 C30 . . 120.5(6) ?
C28 C29 H29 . . 119.7 ?
C30 C29 H29 . . 119.7 ?
C25 C30 C29 . . 119.6(6) ?
C25 C30 H30 . . 120.2 ?
C29 C30 H30 . . 120.2 ?
C32 C31 C36 . . 120.5(5) ?
C32 C31 Sb2 . . 119.8(4) ?
C36 C31 Sb2 . . 119.4(4) ?
C31 C32 C33 . . 119.0(6) ?
C31 C32 H32 . . 120.5 ?
C33 C32 H32 . . 120.5 ?
C34 C33 C32 . . 120.2(6) ?
C34 C33 H33 . . 119.9 ?
C32 C33 H33 . . 119.9 ?
C33 C34 C35 . . 120.3(6) ?
C33 C34 H34 . . 119.9 ?
C35 C34 H34 . . 119.9 ?
C36 C35 C34 . . 120.5(6) ?
C36 C35 H35 . . 119.7 ?
C34 C35 H35 . . 119.7 ?
C35 C36 C31 . . 119.4(6) ?
C35 C36 H36 . . 120.3 ?
C31 C36 H36 . . 120.3 ?
C38 C37 C42 . . 119.4(5) ?
C38 C37 Sb3 . . 121.4(4) ?
C42 C37 Sb3 . . 119.1(4) ?
C37 C38 C39 . . 119.5(6) ?
C37 C38 H38 . . 120.3 ?
C39 C38 H38 . . 120.3 ?
C40 C39 C38 . . 120.8(6) ?
C40 C39 H39 . . 119.6 ?
C38 C39 H39 . . 119.6 ?
C41 C40 C39 . . 118.5(5) ?
C41 C40 H40 . . 120.8 ?
C39 C40 H40 . . 120.8 ?
C40 C41 C42 . . 121.7(6) ?
C40 C41 H41 . . 119.2 ?
C42 C41 H41 . . 119.2 ?
C41 C42 C37 . . 120.0(5) ?
C41 C42 H42 . . 120.0 ?
C37 C42 H42 . . 120.0 ?
C44 C43 C48 . . 120.4(4) ?
C44 C43 Sb3 . . 120.0(3) ?
C48 C43 Sb3 . . 119.6(3) ?
C43 C44 C45 . . 118.8(5) ?
C43 C44 H44 . . 120.6 ?
C45 C44 H44 . . 120.6 ?
C46 C45 C44 . . 119.9(5) ?
C46 C45 H45 . . 120.1 ?
C44 C45 H45 . . 120.1 ?
C45 C46 C47 . . 121.3(5) ?
C45 C46 H46 . . 119.3 ?
C47 C46 H46 . . 119.3 ?
C46 C47 C48 . . 119.0(5) ?
C46 C47 H47 . . 120.5 ?
C48 C47 H47 . . 120.5 ?
C43 C48 C47 . . 120.3(5) ?
C43 C48 H48 . . 119.8 ?
C47 C48 H48 . . 119.8 ?
C54 C49 C50 . . 119.6(5) ?
C54 C49 Sb3 . . 119.5(4) ?
C50 C49 Sb3 . . 120.9(4) ?
C51 C50 C49 . . 120.0(6) ?
C51 C50 H50 . . 120.0 ?
C49 C50 H50 . . 120.0 ?
C52 C51 C50 . . 119.9(6) ?
C52 C51 H51 . . 120.1 ?
C50 C51 H51 . . 120.1 ?
C53 C52 C51 . . 120.1(6) ?
C53 C52 H52 . . 120.0 ?
C51 C52 H52 . . 120.0 ?
C52 C53 C54 . . 120.3(6) ?
C52 C53 H53 . . 119.9 ?
C54 C53 H53 . . 119.9 ?
C53 C54 C49 . . 120.0(6) ?
C53 C54 H54 . . 120.0 ?
C49 C54 H54 . . 120.0 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Te1 O2 . 1.904(3) y
Te1 O5 . 1.904(3) y
Te1 O4 . 1.918(3) y
Te1 O1 . 1.949(3) y
Te1 O6 . 1.964(3) y
Te1 O3 . 1.968(3) y
Sb1 O1 . 1.992(3) y
Sb1 O2 . 2.091(3) y
Sb1 C1 . 2.110(5) y
Sb1 C13 . 2.128(4) y
Sb1 C7 . 2.175(4) y
Sb2 O3 . 1.966(3) y
Sb2 O4 . 2.087(3) y
Sb2 C25 . 2.136(5) y
Sb2 C31 . 2.147(5) y
Sb2 C19 . 2.170(4) y
Sb3 O6 . 1.967(3) y
Sb3 O5 . 2.110(3) y
Sb3 C49 . 2.112(5) y
Sb3 C43 . 2.122(4) y
Sb3 C37 . 2.165(4) y
C1 C6 . 1.381(7) ?
C1 C2 . 1.399(7) ?
C2 C3 . 1.378(8) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.398(10) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.379(9) ?
C4 H4 . 0.9500 ?
C5 C6 . 1.396(8) ?
C5 H5 . 0.9500 ?
C6 H6 . 0.9500 ?
C7 C8 . 1.377(7) ?
C7 C12 . 1.380(8) ?
C8 C9 . 1.396(9) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.371(11) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.387(10) ?
C10 H10 . 0.9500 ?
C11 C12 . 1.371(8) ?
C11 H11 . 0.9500 ?
C12 H12 . 0.9500 ?
C13 C18 . 1.386(6) ?
C13 C14 . 1.387(7) ?
C14 C15 . 1.394(7) ?
C14 H14 . 0.9500 ?
C15 C16 . 1.391(7) ?
C15 H15 . 0.9500 ?
C16 C17 . 1.377(8) ?
C16 H16 . 0.9500 ?
C17 C18 . 1.388(7) ?
C17 H17 . 0.9500 ?
C18 H18 . 0.9500 ?
C19 C24 . 1.382(8) ?
C19 C20 . 1.398(8) ?
C20 C21 . 1.403(7) ?
C20 H20 . 0.9500 ?
C21 C22 . 1.381(11) ?
C21 H21 . 0.9500 ?
C22 C23 . 1.380(11) ?
C22 H22 . 0.9500 ?
C23 C24 . 1.401(8) ?
C23 H23 . 0.9500 ?
C24 H24 . 0.9500 ?
C25 C30 . 1.376(7) ?
C25 C26 . 1.378(8) ?
C26 C27 . 1.386(9) ?
C26 H26 . 0.9500 ?
C27 C28 . 1.361(9) ?
C27 H27 . 0.9500 ?
C28 C29 . 1.385(10) ?
C28 H28 . 0.9500 ?
C29 C30 . 1.390(9) ?
C29 H29 . 0.9500 ?
C30 H30 . 0.9500 ?
C31 C32 . 1.387(7) ?
C31 C36 . 1.392(7) ?
C32 C33 . 1.397(8) ?
C32 H32 . 0.9500 ?
C33 C34 . 1.371(11) ?
C33 H33 . 0.9500 ?
C34 C35 . 1.381(11) ?
C34 H34 . 0.9500 ?
C35 C36 . 1.376(8) ?
C35 H35 . 0.9500 ?
C36 H36 . 0.9500 ?
C37 C38 . 1.367(8) ?
C37 C42 . 1.385(7) ?
C38 C39 . 1.412(8) ?
C38 H38 . 0.9500 ?
C39 C40 . 1.371(10) ?
C39 H39 . 0.9500 ?
C40 C41 . 1.368(9) ?
C40 H40 . 0.9500 ?
C41 C42 . 1.374(8) ?
C41 H41 . 0.9500 ?
C42 H42 . 0.9500 ?
C43 C44 . 1.383(7) ?
C43 C48 . 1.387(7) ?
C44 C45 . 1.408(7) ?
C44 H44 . 0.9500 ?
C45 C46 . 1.368(8) ?
C45 H45 . 0.9500 ?
C46 C47 . 1.377(8) ?
C46 H46 . 0.9500 ?
C47 C48 . 1.387(7) ?
C47 H47 . 0.9500 ?
C48 H48 . 0.9500 ?
C49 C54 . 1.382(7) ?
C49 C50 . 1.388(7) ?
C50 C51 . 1.387(8) ?
C50 H50 . 0.9500 ?
C51 C52 . 1.379(10) ?
C51 H51 . 0.9500 ?
C52 C53 . 1.377(10) ?
C52 H52 . 0.9500 ?
C53 C54 . 1.382(8) ?
C53 H53 . 0.9500 ?
C54 H54 . 0.9500 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C16 H16 O1 1_545 0.95 2.58 3.342(6) 137 yes
C17 H17 O5 1_545 0.95 2.58 3.437(6) 150 yes
C21 H21 O4 1_545 0.95 2.75 3.651(8) 158 yes
C46 H46 O6 1_565 0.95 2.67 3.276(6) 122 yes
C47 H47 O6 1_565 0.95 2.73 3.307(6) 120 yes
C47 H47 O2 1_565 0.95 2.70 3.645(6) 177 yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . . . . -1.9(9) ?
Sb1 C1 C2 C3 . . . . 179.8(5) ?
C1 C2 C3 C4 . . . . 2.1(10) ?
C2 C3 C4 C5 . . . . -1.4(10) ?
C3 C4 C5 C6 . . . . 0.5(9) ?
C2 C1 C6 C5 . . . . 1.1(8) ?
Sb1 C1 C6 C5 . . . . 179.4(4) ?
C4 C5 C6 C1 . . . . -0.3(9) ?
C12 C7 C8 C9 . . . . 1.5(10) ?
Sb1 C7 C8 C9 . . . . 177.5(6) ?
C7 C8 C9 C10 . . . . -0.4(12) ?
C8 C9 C10 C11 . . . . -0.8(13) ?
C9 C10 C11 C12 . . . . 0.9(11) ?
C10 C11 C12 C7 . . . . 0.3(10) ?
C8 C7 C12 C11 . . . . -1.5(9) ?
Sb1 C7 C12 C11 . . . . -177.5(5) ?
C18 C13 C14 C15 . . . . 0.9(8) ?
Sb1 C13 C14 C15 . . . . -176.5(4) ?
C13 C14 C15 C16 . . . . -0.9(8) ?
C14 C15 C16 C17 . . . . -0.1(9) ?
C15 C16 C17 C18 . . . . 1.2(9) ?
C14 C13 C18 C17 . . . . 0.2(8) ?
Sb1 C13 C18 C17 . . . . 177.5(4) ?
C16 C17 C18 C13 . . . . -1.2(9) ?
C24 C19 C20 C21 . . . . -1.1(8) ?
Sb2 C19 C20 C21 . . . . -179.5(5) ?
C19 C20 C21 C22 . . . . 0.4(10) ?
C20 C21 C22 C23 . . . . -0.2(12) ?
C21 C22 C23 C24 . . . . 0.7(12) ?
C20 C19 C24 C23 . . . . 1.5(9) ?
Sb2 C19 C24 C23 . . . . 180.0(4) ?
C22 C23 C24 C19 . . . . -1.4(10) ?
C30 C25 C26 C27 . . . . 3.1(10) ?
Sb2 C25 C26 C27 . . . . -178.6(6) ?
C25 C26 C27 C28 . . . . -1.2(12) ?
C26 C27 C28 C29 . . . . -1.7(12) ?
C27 C28 C29 C30 . . . . 2.7(12) ?
C26 C25 C30 C29 . . . . -2.1(10) ?
Sb2 C25 C30 C29 . . . . 179.6(6) ?
C28 C29 C30 C25 . . . . -0.8(12) ?
C36 C31 C32 C33 . . . . -1.0(9) ?
Sb2 C31 C32 C33 . . . . -174.9(5) ?
C31 C32 C33 C34 . . . . 0.6(10) ?
C32 C33 C34 C35 . . . . -0.9(12) ?
C33 C34 C35 C36 . . . . 1.5(11) ?
C34 C35 C36 C31 . . . . -1.9(10) ?
C32 C31 C36 C35 . . . . 1.6(9) ?
Sb2 C31 C36 C35 . . . . 175.5(5) ?
C42 C37 C38 C39 . . . . 4.5(10) ?
Sb3 C37 C38 C39 . . . . -179.4(6) ?
C37 C38 C39 C40 . . . . -3.4(13) ?
C38 C39 C40 C41 . . . . 0.4(13) ?
C39 C40 C41 C42 . . . . 1.5(11) ?
C40 C41 C42 C37 . . . . -0.4(10) ?
C38 C37 C42 C41 . . . . -2.7(9) ?
Sb3 C37 C42 C41 . . . . -178.9(5) ?
C48 C43 C44 C45 . . . . -3.4(8) ?
Sb3 C43 C44 C45 . . . . 177.3(5) ?
C43 C44 C45 C46 . . . . 2.5(10) ?
C44 C45 C46 C47 . . . . 1.7(10) ?
C45 C46 C47 C48 . . . . -5.0(10) ?
C44 C43 C48 C47 . . . . 0.2(8) ?
Sb3 C43 C48 C47 . . . . 179.5(4) ?
C46 C47 C48 C43 . . . . 4.0(9) ?
C54 C49 C50 C51 . . . . 1.3(9) ?
Sb3 C49 C50 C51 . . . . -178.4(5) ?
C49 C50 C51 C52 . . . . -0.7(10) ?
C50 C51 C52 C53 . . . . -2.1(10) ?
C51 C52 C53 C54 . . . . 4.3(9) ?
C52 C53 C54 C49 . . . . -3.7(9) ?
C50 C49 C54 C53 . . . . 0.9(8) ?
Sb3 C49 C54 C53 . . . . -179.3(4) ?

_cod_database_fobs_code 2243974
