#------------------------------------------------------------------------------
#$Date: 2017-10-13 14:42:48 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201982 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/35/4303503.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_4303503
loop_
_publ_author_name
'Daniel Mendoza-Espinosa'
'Tracy A. Hanna'
_publ_section_title
;
Facile Synthesis of Bismuth(III) and Antimony(III) Complexes Supported by
Silylated Calix[5]arenes.
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10312
_journal_page_last               10325
_journal_paper_doi               10.1021/ic9014477
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C68 H87 O6 Sb Si, C4 H10 O2'
_chemical_formula_sum            'C72 H97 O8 Sb Si'
_chemical_formula_weight         1240.38
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           147
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   31.122(3)
_cell_length_b                   31.122(3)
_cell_length_c                   14.5433(18)
_cell_measurement_reflns_used    500
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     12199(2)
_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      223(2)
_diffrn_detector_area_resol_mean 'not recorded'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1000'
_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  0.0672
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            60352
_diffrn_reflns_theta_full        23.28
_diffrn_reflns_theta_max         23.28
_diffrn_reflns_theta_min         1.92
_diffrn_standards_interval_count 'not recorded'
_diffrn_standards_interval_time  'not recorded'
_diffrn_standards_number         'not recorded'
_exptl_absorpt_coefficient_mu    0.392
_exptl_absorpt_correction_T_max  0.9545
_exptl_absorpt_correction_T_min  0.9364
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.013
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             3648
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.642
_refine_diff_density_min         -0.375
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         11707
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0899P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1311
_refine_ls_wR_factor_ref         0.1432
_reflns_number_gt                7809
_reflns_number_total             11707
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9014477_si_001_09.cif
_cod_data_source_block           tcu216m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4303503
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.252172(11) 0.319760(11) 0.844426(19) 0.05879(13) Uani 1 1 d . . .
Si1 Si 0.38242(4) 0.44559(5) 1.00643(8) 0.0633(3) Uani 1 1 d . . .
O1 O 0.36470(9) 0.45369(10) 0.90481(19) 0.0602(7) Uani 1 1 d . . .
C1 C 0.37795(15) 0.49708(15) 0.8588(3) 0.0588(11) Uani 1 1 d . . .
O2 O 0.43082(10) 0.43775(11) 0.98930(18) 0.0629(7) Uani 1 1 d . . .
C2 C 0.34017(15) 0.50243(15) 0.8197(3) 0.0614(11) Uani 1 1 d . . .
O3 O 0.35898(10) 0.29632(10) 1.06123(17) 0.0620(7) Uani 1 1 d . . .
C3 C 0.35288(17) 0.54497(17) 0.7684(4) 0.0770(14) Uani 1 1 d . . .
H3A H 0.3273 0.5491 0.7436 0.092 Uiso 1 1 calc R . .
O4 O 0.20980(10) 0.26775(10) 0.93413(17) 0.0602(7) Uani 1 1 d . . .
C4 C 0.40190(18) 0.58173(17) 0.7521(4) 0.0847(15) Uani 1 1 d . . .
O5 O 0.21888(9) 0.35970(10) 0.86303(18) 0.0573(7) Uani 1 1 d . . .
C5 C 0.43844(17) 0.57491(17) 0.7943(4) 0.0800(15) Uani 1 1 d . . .
H5A H 0.4718 0.5996 0.7870 0.096 Uiso 1 1 calc R . .
O6 O 0.21281(11) 0.28441(11) 0.74083(18) 0.0711(8) Uani 1 1 d . . .
C6 C 0.42771(15) 0.53364(16) 0.8463(3) 0.0633(11) Uani 1 1 d . . .
C7 C 0.4154(2) 0.6262(2) 0.6879(5) 0.109(2) Uani 1 1 d . . .
C8 C 0.3720(2) 0.6286(2) 0.6523(5) 0.140(3) Uani 1 1 d . . .
H8A H 0.3544 0.6331 0.7032 0.210 Uiso 1 1 calc R . .
H8B H 0.3499 0.5980 0.6203 0.210 Uiso 1 1 calc R . .
H8C H 0.3833 0.6563 0.6101 0.210 Uiso 1 1 calc R . .
C9 C 0.4532(3) 0.6735(2) 0.7347(5) 0.136(2) Uani 1 1 d . . .
H9A H 0.4385 0.6792 0.7887 0.204 Uiso 1 1 calc R . .
H9B H 0.4638 0.7012 0.6925 0.204 Uiso 1 1 calc R . .
H9C H 0.4816 0.6706 0.7529 0.204 Uiso 1 1 calc R . .
C10 C 0.4423(3) 0.6187(3) 0.5976(5) 0.149(3) Uani 1 1 d . . .
H10A H 0.4515 0.6460 0.5552 0.223 Uiso 1 1 calc R . .
H10B H 0.4196 0.5877 0.5675 0.223 Uiso 1 1 calc R . .
H10C H 0.4718 0.6180 0.6166 0.223 Uiso 1 1 calc R . .
C11 C 0.47068(15) 0.52891(16) 0.8858(3) 0.0734(13) Uani 1 1 d . . .
H11A H 0.5019 0.5589 0.8697 0.088 Uiso 1 1 calc R . .
H11B H 0.4680 0.5276 0.9530 0.088 Uiso 1 1 calc R . .
C12 C 0.47342(14) 0.48405(17) 0.8533(3) 0.0619(11) Uani 1 1 d . . .
C13 C 0.49675(15) 0.48593(17) 0.7719(3) 0.0661(12) Uani 1 1 d . . .
H13A H 0.5089 0.5146 0.7354 0.079 Uiso 1 1 calc R . .
C14 C 0.50311(15) 0.44718(18) 0.7413(3) 0.0658(11) Uani 1 1 d . . .
C15 C 0.48489(15) 0.40618(17) 0.7975(3) 0.0640(11) Uani 1 1 d . . .
H15A H 0.4896 0.3798 0.7794 0.077 Uiso 1 1 calc R . .
C16 C 0.45986(14) 0.40145(16) 0.8797(3) 0.0595(11) Uani 1 1 d . . .
C17 C 0.45433(14) 0.44132(16) 0.9061(3) 0.0552(10) Uani 1 1 d . . .
C18 C 0.52915(19) 0.4490(2) 0.6513(3) 0.0842(14) Uani 1 1 d . . .
C19 C 0.5537(4) 0.5010(3) 0.6074(5) 0.214(5) Uani 1 1 d . . .
H19A H 0.5699 0.5008 0.5505 0.320 Uiso 1 1 calc R . .
H19B H 0.5781 0.5250 0.6494 0.320 Uiso 1 1 calc R . .
H19C H 0.5285 0.5099 0.5946 0.320 Uiso 1 1 calc R . .
C20 C 0.5708(3) 0.4379(3) 0.6670(4) 0.149(3) Uani 1 1 d . . .
H20A H 0.5575 0.4054 0.6949 0.223 Uiso 1 1 calc R . .
H20B H 0.5954 0.4628 0.7075 0.223 Uiso 1 1 calc R . .
H20C H 0.5861 0.4384 0.6086 0.223 Uiso 1 1 calc R . .
C21 C 0.4920(3) 0.4118(4) 0.5850(4) 0.211(5) Uani 1 1 d . . .
H21A H 0.4765 0.3790 0.6123 0.316 Uiso 1 1 calc R . .
H21B H 0.5088 0.4119 0.5287 0.316 Uiso 1 1 calc R . .
H21C H 0.4669 0.4205 0.5711 0.316 Uiso 1 1 calc R . .
C22 C 0.43821(15) 0.35450(16) 0.9358(3) 0.0617(11) Uani 1 1 d . . .
H22A H 0.4360 0.3627 1.0000 0.074 Uiso 1 1 calc R . .
H22B H 0.4610 0.3414 0.9334 0.074 Uiso 1 1 calc R . .
C23 C 0.38702(15) 0.31400(15) 0.9045(3) 0.0550(10) Uani 1 1 d . . .
C24 C 0.37705(16) 0.30150(15) 0.8125(3) 0.0575(10) Uani 1 1 d . . .
H24A H 0.4021 0.3197 0.7692 0.069 Uiso 1 1 calc R . .
C25 C 0.33153(15) 0.26305(14) 0.7808(3) 0.0548(10) Uani 1 1 d . . .
C26 C 0.29467(15) 0.23958(15) 0.8465(3) 0.0562(10) Uani 1 1 d . . .
H26A H 0.2630 0.2151 0.8270 0.067 Uiso 1 1 calc R . .
C27 C 0.30231(16) 0.25054(15) 0.9396(3) 0.0550(10) Uani 1 1 d . . .
C28 C 0.34953(16) 0.28620(16) 0.9674(3) 0.0543(10) Uani 1 1 d . . .
C29 C 0.32530(17) 0.24916(17) 0.6794(3) 0.0664(12) Uani 1 1 d D . .
C30 C 0.3327(3) 0.2942(2) 0.6212(3) 0.115(2) Uani 1 1 d D . .
H30A H 0.3079 0.3030 0.6385 0.172 Uiso 1 1 calc R . .
H30B H 0.3292 0.2856 0.5565 0.172 Uiso 1 1 calc R . .
H30C H 0.3656 0.3222 0.6324 0.172 Uiso 1 1 calc R . .
C31 C 0.3646(2) 0.2364(2) 0.6508(3) 0.0983(17) Uani 1 1 d D . .
H31A H 0.3606 0.2082 0.6864 0.147 Uiso 1 1 calc R . .
H31B H 0.3973 0.2646 0.6618 0.147 Uiso 1 1 calc R . .
H31C H 0.3610 0.2280 0.5859 0.147 Uiso 1 1 calc R . .
C32 C 0.2746(2) 0.2052(2) 0.6585(4) 0.114(2) Uani 1 1 d D . .
H32A H 0.2697 0.1769 0.6946 0.171 Uiso 1 1 calc R . .
H32B H 0.2725 0.1972 0.5936 0.171 Uiso 1 1 calc R . .
H32C H 0.2493 0.2134 0.6740 0.171 Uiso 1 1 calc R . .
C33 C 0.26120(16) 0.22127(16) 1.0082(3) 0.0655(11) Uani 1 1 d . . .
H33A H 0.2721 0.2038 1.0497 0.079 Uiso 1 1 calc R . .
H33B H 0.2321 0.1961 0.9747 0.079 Uiso 1 1 calc R . .
C34 C 0.24534(15) 0.25199(16) 1.0663(3) 0.0598(11) Uani 1 1 d . . .
C35 C 0.25399(16) 0.25675(18) 1.1604(3) 0.0708(12) Uani 1 1 d . . .
H35A H 0.2711 0.2421 1.1871 0.085 Uiso 1 1 calc R . .
C36 C 0.23846(17) 0.28221(19) 1.2165(3) 0.0739(13) Uani 1 1 d . . .
C37 C 0.21272(16) 0.30219(18) 1.1749(3) 0.0705(12) Uani 1 1 d . . .
H37A H 0.2010 0.3189 1.2119 0.085 Uiso 1 1 calc R . .
C38 C 0.20314(15) 0.29895(16) 1.0813(3) 0.0614(11) Uani 1 1 d . . .
C39 C 0.22015(15) 0.27357(15) 1.0273(3) 0.0581(10) Uani 1 1 d . . .
C40 C 0.2498(2) 0.2888(3) 1.3202(3) 0.110(2) Uani 1 1 d . . .
C41 C 0.2957(4) 0.3446(4) 1.3318(5) 0.197(4) Uani 1 1 d . . .
H41A H 0.3047 0.3511 1.3963 0.296 Uiso 1 1 calc R . .
H41B H 0.2860 0.3679 1.3095 0.296 Uiso 1 1 calc R . .
H41C H 0.3238 0.3483 1.2967 0.296 Uiso 1 1 calc R . .
C42 C 0.2685(3) 0.2555(3) 1.3550(4) 0.165(3) Uani 1 1 d . . .
H42A H 0.2424 0.2212 1.3498 0.248 Uiso 1 1 calc R . .
H42B H 0.2783 0.2632 1.4189 0.248 Uiso 1 1 calc R . .
H42C H 0.2969 0.2608 1.3187 0.248 Uiso 1 1 calc R . .
C43 C 0.2074(3) 0.2849(4) 1.3749(4) 0.206(5) Uani 1 1 d . . .
H43A H 0.1792 0.2516 1.3694 0.308 Uiso 1 1 calc R . .
H43B H 0.1984 0.3086 1.3520 0.308 Uiso 1 1 calc R . .
H43C H 0.2170 0.2919 1.4390 0.308 Uiso 1 1 calc R . .
C44 C 0.17561(15) 0.32325(16) 1.0405(3) 0.0637(11) Uani 1 1 d . . .
H44A H 0.1594 0.3061 0.9834 0.076 Uiso 1 1 calc R . .
H44B H 0.1496 0.3194 1.0834 0.076 Uiso 1 1 calc R . .
C45 C 0.20897(15) 0.37778(16) 1.0201(3) 0.0593(11) Uani 1 1 d . . .
C46 C 0.21877(17) 0.4130(2) 1.0870(3) 0.0805(14) Uani 1 1 d . . .
H46A H 0.2026 0.4024 1.1440 0.097 Uiso 1 1 calc R . .
C47 C 0.25122(18) 0.4630(2) 1.0739(4) 0.0859(16) Uani 1 1 d . . .
C48 C 0.27336(16) 0.47734(17) 0.9887(4) 0.0758(14) Uani 1 1 d . . .
H48A H 0.2959 0.5111 0.9784 0.091 Uiso 1 1 calc R . .
C49 C 0.26376(15) 0.44389(16) 0.9172(3) 0.0602(11) Uani 1 1 d . . .
C50 C 0.23109(14) 0.39369(16) 0.9338(3) 0.0576(11) Uani 1 1 d . . .
C51 C 0.2612(2) 0.4990(3) 1.1542(5) 0.140(3) Uani 1 1 d D . .
C52 C 0.2790(3) 0.4793(3) 1.2455(6) 0.186(4) Uani 1 1 d D . .
H52A H 0.2854 0.5017 1.2967 0.278 Uiso 1 1 calc R . .
H52B H 0.3089 0.4784 1.2307 0.278 Uiso 1 1 calc R . .
H52C H 0.2529 0.4462 1.2622 0.278 Uiso 1 1 calc R . .
C53 C 0.2155(2) 0.4952(3) 1.1898(5) 0.155(3) Uani 1 1 d D . .
H53A H 0.2008 0.5060 1.1430 0.233 Uiso 1 1 calc R . .
H53B H 0.2230 0.5161 1.2438 0.233 Uiso 1 1 calc R . .
H53C H 0.1924 0.4610 1.2062 0.233 Uiso 1 1 calc R . .
C54 C 0.3049(2) 0.5481(2) 1.1423(5) 0.133(3) Uani 1 1 d D . .
H54A H 0.2998 0.5646 1.0903 0.199 Uiso 1 1 calc R . .
H54B H 0.3338 0.5447 1.1312 0.199 Uiso 1 1 calc R . .
H54C H 0.3101 0.5676 1.1975 0.199 Uiso 1 1 calc R . .
C55 C 0.28708(14) 0.46117(15) 0.8243(3) 0.0624(11) Uani 1 1 d . . .
H55A H 0.2669 0.4718 0.7899 0.075 Uiso 1 1 calc R . .
H55B H 0.2848 0.4325 0.7920 0.075 Uiso 1 1 calc R . .
C56 C 0.38272(17) 0.27064(17) 1.1020(3) 0.0654(12) Uani 1 1 d . . .
H56A H 0.4128 0.2783 1.0676 0.078 Uiso 1 1 calc R . .
H56B H 0.3601 0.2347 1.1001 0.078 Uiso 1 1 calc R . .
C57 C 0.39568(15) 0.28781(17) 1.2000(3) 0.0610(11) Uani 1 1 d . . .
C58 C 0.39458(16) 0.25479(18) 1.2641(3) 0.0716(12) Uani 1 1 d . . .
H58A H 0.3861 0.2225 1.2462 0.086 Uiso 1 1 calc R . .
C59 C 0.40593(19) 0.2690(2) 1.3550(3) 0.0892(16) Uani 1 1 d . . .
H59A H 0.4046 0.2461 1.3987 0.107 Uiso 1 1 calc R . .
C60 C 0.41909(19) 0.3161(2) 1.3817(4) 0.0910(16) Uani 1 1 d . . .
H60A H 0.4269 0.3256 1.4436 0.109 Uiso 1 1 calc R . .
C61 C 0.42086(19) 0.3495(2) 1.3182(4) 0.0884(15) Uani 1 1 d . . .
H61A H 0.4303 0.3820 1.3362 0.106 Uiso 1 1 calc R . .
C62 C 0.40871(18) 0.33515(18) 1.2275(3) 0.0783(13) Uani 1 1 d . . .
H62A H 0.4093 0.3579 1.1842 0.094 Uiso 1 1 calc R . .
C63 C 0.33308(16) 0.38811(18) 1.0557(3) 0.0768(13) Uani 1 1 d . . .
H63A H 0.3254 0.3608 1.0142 0.115 Uiso 1 1 calc R . .
H63B H 0.3037 0.3909 1.0647 0.115 Uiso 1 1 calc R . .
H63C H 0.3439 0.3820 1.1144 0.115 Uiso 1 1 calc R . .
C64 C 0.39862(17) 0.4987(2) 1.0816(4) 0.0904(16) Uani 1 1 d . . .
H64A H 0.4249 0.5286 1.0535 0.136 Uiso 1 1 calc R . .
H64B H 0.4099 0.4934 1.1405 0.136 Uiso 1 1 calc R . .
H64C H 0.3697 0.5023 1.0908 0.136 Uiso 1 1 calc R . .
C65 C 0.1605(2) 0.2528(2) 0.7220(4) 0.0964(17) Uani 1 1 d . . .
C66 C 0.12653(19) 0.2594(2) 0.7843(4) 0.0950(16) Uani 1 1 d . . .
H66A H 0.1304 0.2920 0.7748 0.143 Uiso 1 1 calc R . .
H66B H 0.1344 0.2563 0.8476 0.143 Uiso 1 1 calc R . .
H66C H 0.0925 0.2342 0.7712 0.143 Uiso 1 1 calc R . .
C67 C 0.1521(3) 0.2560(6) 0.6267(5) 0.299(9) Uani 1 1 d . . .
H67A H 0.1583 0.2891 0.6127 0.449 Uiso 1 1 calc R . .
H67B H 0.1180 0.2319 0.6117 0.449 Uiso 1 1 calc R . .
H67C H 0.1743 0.2492 0.5908 0.449 Uiso 1 1 calc R . .
C68 C 0.1504(3) 0.1992(3) 0.7442(7) 0.192(4) Uani 1 1 d . . .
H68A H 0.1715 0.1918 0.7058 0.288 Uiso 1 1 calc R . .
H68B H 0.1159 0.1753 0.7319 0.288 Uiso 1 1 calc R . .
H68C H 0.1577 0.1973 0.8084 0.288 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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
_geom_angle_publ_flag
O6 Sb1 O4 94.35(12) . . ?
O6 Sb1 O5 94.74(11) . . ?
O4 Sb1 O5 94.52(11) . . ?
O1 Si1 O2 106.66(14) . . ?
O1 Si1 C63 108.77(18) . . ?
O2 Si1 C63 107.19(18) . . ?
O1 Si1 C64 111.2(2) . . ?
O2 Si1 C64 111.21(18) . . ?
C63 Si1 C64 111.6(2) . . ?
C1 O1 Si1 129.2(3) . . ?
O1 C1 C2 117.5(4) . . ?
O1 C1 C6 121.9(4) . . ?
C2 C1 C6 120.5(4) . . ?
C17 O2 Si1 126.8(2) . . ?
C1 C2 C3 118.5(4) . . ?
C1 C2 C55 120.9(4) . . ?
C3 C2 C55 120.2(4) . . ?
C28 O3 C56 112.3(3) . . ?
C2 C3 C4 123.0(4) . . ?
C2 C3 H3A 118.5 . . ?
C4 C3 H3A 118.5 . . ?
C39 O4 Sb1 121.4(2) . . ?
C3 C4 C5 116.1(4) . . ?
C3 C4 C7 122.3(4) . . ?
C5 C4 C7 121.6(4) . . ?
C50 O5 Sb1 123.1(2) . . ?
C6 C5 C4 123.0(4) . . ?
C6 C5 H5A 118.5 . . ?
C4 C5 H5A 118.5 . . ?
C65 O6 Sb1 136.2(3) . . ?
C5 C6 C1 118.8(4) . . ?
C5 C6 C11 118.6(4) . . ?
C1 C6 C11 122.6(4) . . ?
C8 C7 C9 113.1(5) . . ?
C8 C7 C4 114.2(5) . . ?
C9 C7 C4 109.4(6) . . ?
C8 C7 C10 105.7(6) . . ?
C9 C7 C10 107.2(5) . . ?
C4 C7 C10 106.6(5) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C6 115.3(3) . . ?
C12 C11 H11A 108.5 . . ?
C6 C11 H11A 108.5 . . ?
C12 C11 H11B 108.5 . . ?
C6 C11 H11B 108.5 . . ?
H11A C11 H11B 107.5 . . ?
C13 C12 C17 118.8(4) . . ?
C13 C12 C11 120.0(4) . . ?
C17 C12 C11 121.1(4) . . ?
C12 C13 C14 122.7(4) . . ?
C12 C13 H13A 118.7 . . ?
C14 C13 H13A 118.7 . . ?
C15 C14 C13 116.4(4) . . ?
C15 C14 C18 120.6(4) . . ?
C13 C14 C18 123.1(4) . . ?
C14 C15 C16 123.8(4) . . ?
C14 C15 H15A 118.1 . . ?
C16 C15 H15A 118.1 . . ?
C17 C16 C15 117.1(4) . . ?
C17 C16 C22 121.4(4) . . ?
C15 C16 C22 121.5(4) . . ?
C12 C17 O2 121.0(4) . . ?
C12 C17 C16 121.2(4) . . ?
O2 C17 C16 117.7(4) . . ?
C21 C18 C20 109.6(6) . . ?
C21 C18 C14 109.4(4) . . ?
C20 C18 C14 111.2(4) . . ?
C21 C18 C19 109.2(7) . . ?
C20 C18 C19 105.7(6) . . ?
C14 C18 C19 111.7(5) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C16 C22 C23 114.6(3) . . ?
C16 C22 H22A 108.6 . . ?
C23 C22 H22A 108.6 . . ?
C16 C22 H22B 108.6 . . ?
C23 C22 H22B 108.6 . . ?
H22A C22 H22B 107.6 . . ?
C24 C23 C28 117.4(4) . . ?
C24 C23 C22 121.0(4) . . ?
C28 C23 C22 121.5(4) . . ?
C23 C24 C25 123.2(4) . . ?
C23 C24 H24A 118.4 . . ?
C25 C24 H24A 118.4 . . ?
C26 C25 C24 116.2(4) . . ?
C26 C25 C29 124.3(4) . . ?
C24 C25 C29 119.5(4) . . ?
C25 C26 C27 123.2(4) . . ?
C25 C26 H26A 118.4 . . ?
C27 C26 H26A 118.4 . . ?
C28 C27 C26 117.7(4) . . ?
C28 C27 C33 121.8(4) . . ?
C26 C27 C33 120.4(4) . . ?
C27 C28 C23 121.9(4) . . ?
C27 C28 O3 119.0(4) . . ?
C23 C28 O3 119.0(4) . . ?
C32 C29 C31 108.6(4) . . ?
C32 C29 C25 112.2(4) . . ?
C31 C29 C25 109.5(4) . . ?
C32 C29 C30 108.9(4) . . ?
C31 C29 C30 108.2(4) . . ?
C25 C29 C30 109.3(4) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C27 C33 C34 115.3(3) . . ?
C27 C33 H33A 108.5 . . ?
C34 C33 H33A 108.5 . . ?
C27 C33 H33B 108.5 . . ?
C34 C33 H33B 108.5 . . ?
H33A C33 H33B 107.5 . . ?
C39 C34 C35 118.6(4) . . ?
C39 C34 C33 121.0(4) . . ?
C35 C34 C33 120.3(4) . . ?
C36 C35 C34 122.5(4) . . ?
C36 C35 H35A 118.7 . . ?
C34 C35 H35A 118.7 . . ?
C37 C36 C35 116.7(4) . . ?
C37 C36 C40 121.2(4) . . ?
C35 C36 C40 122.1(4) . . ?
C36 C37 C38 123.5(4) . . ?
C36 C37 H37A 118.3 . . ?
C38 C37 H37A 118.3 . . ?
C37 C38 C39 117.8(4) . . ?
C37 C38 C44 120.1(4) . . ?
C39 C38 C44 122.1(4) . . ?
C34 C39 O4 119.3(4) . . ?
C34 C39 C38 120.8(4) . . ?
O4 C39 C38 119.8(4) . . ?
C43 C40 C42 113.2(6) . . ?
C43 C40 C36 112.1(5) . . ?
C42 C40 C36 112.3(5) . . ?
C43 C40 C41 107.6(7) . . ?
C42 C40 C41 105.5(6) . . ?
C36 C40 C41 105.4(5) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C38 113.2(3) . . ?
C45 C44 H44A 108.9 . . ?
C38 C44 H44A 108.9 . . ?
C45 C44 H44B 108.9 . . ?
C38 C44 H44B 108.9 . . ?
H44A C44 H44B 107.8 . . ?
C46 C45 C50 118.5(4) . . ?
C46 C45 C44 120.6(4) . . ?
C50 C45 C44 120.9(4) . . ?
C45 C46 C47 123.0(5) . . ?
C45 C46 H46A 118.5 . . ?
C47 C46 H46A 118.5 . . ?
C48 C47 C46 117.0(4) . . ?
C48 C47 C51 124.1(5) . . ?
C46 C47 C51 119.0(5) . . ?
C47 C48 C49 122.9(5) . . ?
C47 C48 H48A 118.6 . . ?
C49 C48 H48A 118.6 . . ?
C48 C49 C50 118.1(4) . . ?
C48 C49 C55 121.3(4) . . ?
C50 C49 C55 120.6(4) . . ?
O5 C50 C49 119.6(4) . . ?
O5 C50 C45 119.9(4) . . ?
C49 C50 C45 120.5(4) . . ?
C54 C51 C53 119.0(6) . . ?
C54 C51 C47 114.5(5) . . ?
C53 C51 C47 112.1(5) . . ?
C54 C51 C52 100.0(6) . . ?
C53 C51 C52 100.2(6) . . ?
C47 C51 C52 108.6(6) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C51 C53 H53A 109.5 . . ?
C51 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C51 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C49 C55 C2 118.3(4) . . ?
C49 C55 H55A 107.7 . . ?
C2 C55 H55A 107.7 . . ?
C49 C55 H55B 107.7 . . ?
C2 C55 H55B 107.7 . . ?
H55A C55 H55B 107.1 . . ?
O3 C56 C57 108.0(3) . . ?
O3 C56 H56A 110.1 . . ?
C57 C56 H56A 110.1 . . ?
O3 C56 H56B 110.1 . . ?
C57 C56 H56B 110.1 . . ?
H56A C56 H56B 108.4 . . ?
C58 C57 C62 119.1(4) . . ?
C58 C57 C56 118.4(4) . . ?
C62 C57 C56 122.6(4) . . ?
C57 C58 C59 120.1(5) . . ?
C57 C58 H58A 119.9 . . ?
C59 C58 H58A 119.9 . . ?
C60 C59 C58 120.5(5) . . ?
C60 C59 H59A 119.7 . . ?
C58 C59 H59A 119.7 . . ?
C59 C60 C61 119.8(5) . . ?
C59 C60 H60A 120.1 . . ?
C61 C60 H60A 120.1 . . ?
C60 C61 C62 119.8(5) . . ?
C60 C61 H61A 120.1 . . ?
C62 C61 H61A 120.1 . . ?
C57 C62 C61 120.6(5) . . ?
C57 C62 H62A 119.7 . . ?
C61 C62 H62A 119.7 . . ?
Si1 C63 H63A 109.5 . . ?
Si1 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
Si1 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
Si1 C64 H64A 109.5 . . ?
Si1 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
Si1 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C67 C65 O6 108.7(6) . . ?
C67 C65 C66 114.6(7) . . ?
O6 C65 C66 115.4(4) . . ?
C67 C65 C68 109.1(8) . . ?
O6 C65 C68 104.1(5) . . ?
C66 C65 C68 104.2(6) . . ?
C65 C66 H66A 109.5 . . ?
C65 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C65 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C65 C67 H67A 109.5 . . ?
C65 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C65 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C65 C68 H68A 109.5 . . ?
C65 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C65 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Sb1 O6 1.906(3) . ?
Sb1 O4 1.982(3) . ?
Sb1 O5 1.995(3) . ?
Si1 O1 1.640(3) . ?
Si1 O2 1.661(3) . ?
Si1 C63 1.823(5) . ?
Si1 C64 1.830(5) . ?
O1 C1 1.373(5) . ?
C1 C2 1.388(5) . ?
C1 C6 1.401(6) . ?
O2 C17 1.389(4) . ?
C2 C3 1.394(6) . ?
C2 C55 1.504(5) . ?
O3 C28 1.398(4) . ?
O3 C56 1.458(4) . ?
C3 C4 1.395(6) . ?
C3 H3A 0.9400 . ?
O4 C39 1.384(4) . ?
C4 C5 1.399(6) . ?
C4 C7 1.543(7) . ?
O5 C50 1.386(5) . ?
C5 C6 1.380(6) . ?
C5 H5A 0.9400 . ?
O6 C65 1.446(6) . ?
C6 C11 1.528(6) . ?
C7 C8 1.483(8) . ?
C7 C9 1.511(8) . ?
C7 C10 1.636(9) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 H10C 0.9700 . ?
C11 C12 1.516(6) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C12 C13 1.375(6) . ?
C12 C17 1.386(6) . ?
C13 C14 1.389(6) . ?
C13 H13A 0.9400 . ?
C14 C15 1.376(6) . ?
C14 C18 1.526(6) . ?
C15 C16 1.394(5) . ?
C15 H15A 0.9400 . ?
C16 C17 1.390(5) . ?
C16 C22 1.507(6) . ?
C18 C21 1.507(8) . ?
C18 C20 1.516(7) . ?
C18 C19 1.541(9) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 H19C 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 H20C 0.9700 . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C22 C23 1.525(6) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C23 C24 1.385(5) . ?
C23 C28 1.392(5) . ?
C24 C25 1.398(5) . ?
C24 H24A 0.9400 . ?
C25 C26 1.387(5) . ?
C25 C29 1.522(5) . ?
C26 C27 1.387(5) . ?
C26 H26A 0.9400 . ?
C27 C28 1.387(5) . ?
C27 C33 1.516(6) . ?
C29 C32 1.514(6) . ?
C29 C31 1.522(6) . ?
C29 C30 1.553(6) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 H31C 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C33 C34 1.531(6) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C34 C39 1.383(5) . ?
C34 C35 1.389(6) . ?
C35 C36 1.382(6) . ?
C35 H35A 0.9400 . ?
C36 C37 1.375(6) . ?
C36 C40 1.540(6) . ?
C37 C38 1.386(6) . ?
C37 H37A 0.9400 . ?
C38 C39 1.392(5) . ?
C38 C44 1.519(6) . ?
C40 C43 1.494(8) . ?
C40 C42 1.505(9) . ?
C40 C41 1.613(11) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 H41C 0.9700 . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C42 H42C 0.9700 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 H43C 0.9700 . ?
C44 C45 1.511(6) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C45 C46 1.380(6) . ?
C45 C50 1.397(6) . ?
C46 C47 1.381(7) . ?
C46 H46A 0.9400 . ?
C47 C48 1.379(7) . ?
C47 C51 1.538(7) . ?
C48 C49 1.395(6) . ?
C48 H48A 0.9400 . ?
C49 C50 1.395(6) . ?
C49 C55 1.500(6) . ?
C51 C54 1.462(8) . ?
C51 C53 1.463(7) . ?
C51 C52 1.668(10) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C52 H52C 0.9700 . ?
C53 H53A 0.9700 . ?
C53 H53B 0.9700 . ?
C53 H53C 0.9700 . ?
C54 H54A 0.9700 . ?
C54 H54B 0.9700 . ?
C54 H54C 0.9700 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C56 C57 1.504(5) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C57 C58 1.376(6) . ?
C57 C62 1.378(6) . ?
C58 C59 1.382(6) . ?
C58 H58A 0.9400 . ?
C59 C60 1.366(7) . ?
C59 H59A 0.9400 . ?
C60 C61 1.371(7) . ?
C60 H60A 0.9400 . ?
C61 C62 1.383(6) . ?
C61 H61A 0.9400 . ?
C62 H62A 0.9400 . ?
C63 H63A 0.9700 . ?
C63 H63B 0.9700 . ?
C63 H63C 0.9700 . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C64 H64C 0.9700 . ?
C65 C67 1.424(9) . ?
C65 C66 1.482(7) . ?
C65 C68 1.570(9) . ?
C66 H66A 0.9700 . ?
C66 H66B 0.9700 . ?
C66 H66C 0.9700 . ?
C67 H67A 0.9700 . ?
C67 H67B 0.9700 . ?
C67 H67C 0.9700 . ?
C68 H68A 0.9700 . ?
C68 H68B 0.9700 . ?
C68 H68C 0.9700 . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 Si1 O1 C1 -93.2(3) . . . . ?
C63 Si1 O1 C1 151.5(3) . . . . ?
C64 Si1 O1 C1 28.2(4) . . . . ?
Si1 O1 C1 C2 -132.6(3) . . . . ?
Si1 O1 C1 C6 51.2(5) . . . . ?
O1 Si1 O2 C17 4.7(4) . . . . ?
C63 Si1 O2 C17 121.1(3) . . . . ?
C64 Si1 O2 C17 -116.7(4) . . . . ?
O1 C1 C2 C3 -176.6(4) . . . . ?
C6 C1 C2 C3 -0.3(6) . . . . ?
O1 C1 C2 C55 -2.7(6) . . . . ?
C6 C1 C2 C55 173.6(4) . . . . ?
C1 C2 C3 C4 2.0(7) . . . . ?
C55 C2 C3 C4 -171.9(4) . . . . ?
O6 Sb1 O4 C39 -178.6(3) . . . . ?
O5 Sb1 O4 C39 -83.5(3) . . . . ?
C2 C3 C4 C5 -3.0(8) . . . . ?
C2 C3 C4 C7 174.4(5) . . . . ?
O6 Sb1 O5 C50 178.4(3) . . . . ?
O4 Sb1 O5 C50 83.6(3) . . . . ?
C3 C4 C5 C6 2.5(8) . . . . ?
C7 C4 C5 C6 -174.9(5) . . . . ?
O4 Sb1 O6 C65 37.3(4) . . . . ?
O5 Sb1 O6 C65 -57.6(4) . . . . ?
C4 C5 C6 C1 -1.0(7) . . . . ?
C4 C5 C6 C11 177.3(5) . . . . ?
O1 C1 C6 C5 175.9(4) . . . . ?
C2 C1 C6 C5 -0.2(6) . . . . ?
O1 C1 C6 C11 -2.3(6) . . . . ?
C2 C1 C6 C11 -178.4(4) . . . . ?
C3 C4 C7 C8 5.1(9) . . . . ?
C5 C4 C7 C8 -177.6(6) . . . . ?
C3 C4 C7 C9 133.1(5) . . . . ?
C5 C4 C7 C9 -49.7(7) . . . . ?
C3 C4 C7 C10 -111.3(6) . . . . ?
C5 C4 C7 C10 65.9(7) . . . . ?
C5 C6 C11 C12 -118.9(5) . . . . ?
C1 C6 C11 C12 59.3(6) . . . . ?
C6 C11 C12 C13 84.7(5) . . . . ?
C6 C11 C12 C17 -97.7(5) . . . . ?
C17 C12 C13 C14 -1.7(6) . . . . ?
C11 C12 C13 C14 176.0(4) . . . . ?
C12 C13 C14 C15 -0.3(6) . . . . ?
C12 C13 C14 C18 -179.7(4) . . . . ?
C13 C14 C15 C16 1.9(6) . . . . ?
C18 C14 C15 C16 -178.7(4) . . . . ?
C14 C15 C16 C17 -1.4(6) . . . . ?
C14 C15 C16 C22 176.5(4) . . . . ?
C13 C12 C17 O2 179.4(3) . . . . ?
C11 C12 C17 O2 1.9(6) . . . . ?
C13 C12 C17 C16 2.2(6) . . . . ?
C11 C12 C17 C16 -175.4(4) . . . . ?
Si1 O2 C17 C12 56.2(5) . . . . ?
Si1 O2 C17 C16 -126.4(3) . . . . ?
C15 C16 C17 C12 -0.7(6) . . . . ?
C22 C16 C17 C12 -178.6(4) . . . . ?
C15 C16 C17 O2 -178.1(3) . . . . ?
C22 C16 C17 O2 4.0(5) . . . . ?
C15 C14 C18 C21 68.0(7) . . . . ?
C13 C14 C18 C21 -112.6(7) . . . . ?
C15 C14 C18 C20 -53.2(7) . . . . ?
C13 C14 C18 C20 126.2(6) . . . . ?
C15 C14 C18 C19 -171.0(6) . . . . ?
C13 C14 C18 C19 8.4(8) . . . . ?
C17 C16 C22 C23 94.4(4) . . . . ?
C15 C16 C22 C23 -83.5(5) . . . . ?
C16 C22 C23 C24 46.5(5) . . . . ?
C16 C22 C23 C28 -137.4(4) . . . . ?
C28 C23 C24 C25 0.6(6) . . . . ?
C22 C23 C24 C25 176.8(4) . . . . ?
C23 C24 C25 C26 4.4(6) . . . . ?
C23 C24 C25 C29 -175.0(4) . . . . ?
C24 C25 C26 C27 -4.1(6) . . . . ?
C29 C25 C26 C27 175.2(4) . . . . ?
C25 C26 C27 C28 -1.1(6) . . . . ?
C25 C26 C27 C33 -176.3(4) . . . . ?
C26 C27 C28 C23 6.5(6) . . . . ?
C33 C27 C28 C23 -178.4(4) . . . . ?
C26 C27 C28 O3 -176.9(3) . . . . ?
C33 C27 C28 O3 -1.8(5) . . . . ?
C24 C23 C28 C27 -6.2(6) . . . . ?
C22 C23 C28 C27 177.6(4) . . . . ?
C24 C23 C28 O3 177.2(3) . . . . ?
C22 C23 C28 O3 1.0(5) . . . . ?
C56 O3 C28 C27 98.6(4) . . . . ?
C56 O3 C28 C23 -84.8(4) . . . . ?
C26 C25 C29 C32 -2.2(6) . . . . ?
C24 C25 C29 C32 177.1(4) . . . . ?
C26 C25 C29 C31 -122.9(5) . . . . ?
C24 C25 C29 C31 56.4(5) . . . . ?
C26 C25 C29 C30 118.7(5) . . . . ?
C24 C25 C29 C30 -62.0(5) . . . . ?
C28 C27 C33 C34 63.6(5) . . . . ?
C26 C27 C33 C34 -121.4(4) . . . . ?
C27 C33 C34 C39 69.7(5) . . . . ?
C27 C33 C34 C35 -113.4(5) . . . . ?
C39 C34 C35 C36 -0.1(7) . . . . ?
C33 C34 C35 C36 -177.1(4) . . . . ?
C34 C35 C36 C37 1.3(7) . . . . ?
C34 C35 C36 C40 -177.9(5) . . . . ?
C35 C36 C37 C38 -1.7(7) . . . . ?
C40 C36 C37 C38 177.5(5) . . . . ?
C36 C37 C38 C39 0.8(7) . . . . ?
C36 C37 C38 C44 -178.4(4) . . . . ?
C35 C34 C39 O4 -177.9(4) . . . . ?
C33 C34 C39 O4 -0.9(6) . . . . ?
C35 C34 C39 C38 -0.9(6) . . . . ?
C33 C34 C39 C38 176.1(4) . . . . ?
Sb1 O4 C39 C34 -98.0(4) . . . . ?
Sb1 O4 C39 C38 85.0(4) . . . . ?
C37 C38 C39 C34 0.6(6) . . . . ?
C44 C38 C39 C34 179.7(4) . . . . ?
C37 C38 C39 O4 177.5(4) . . . . ?
C44 C38 C39 O4 -3.4(6) . . . . ?
C37 C36 C40 C43 39.1(9) . . . . ?
C35 C36 C40 C43 -141.7(7) . . . . ?
C37 C36 C40 C42 168.0(6) . . . . ?
C35 C36 C40 C42 -12.9(9) . . . . ?
C37 C36 C40 C41 -77.6(7) . . . . ?
C35 C36 C40 C41 101.5(7) . . . . ?
C37 C38 C44 C45 83.6(5) . . . . ?
C39 C38 C44 C45 -95.5(5) . . . . ?
C38 C44 C45 C46 -87.3(5) . . . . ?
C38 C44 C45 C50 91.8(5) . . . . ?
C50 C45 C46 C47 -3.1(7) . . . . ?
C44 C45 C46 C47 176.1(4) . . . . ?
C45 C46 C47 C48 1.5(7) . . . . ?
C45 C46 C47 C51 -177.5(5) . . . . ?
C46 C47 C48 C49 0.8(7) . . . . ?
C51 C47 C48 C49 179.8(5) . . . . ?
C47 C48 C49 C50 -1.4(7) . . . . ?
C47 C48 C49 C55 177.6(4) . . . . ?
Sb1 O5 C50 C49 97.1(4) . . . . ?
Sb1 O5 C50 C45 -85.7(4) . . . . ?
C48 C49 C50 O5 177.0(3) . . . . ?
C55 C49 C50 O5 -2.1(5) . . . . ?
C48 C49 C50 C45 -0.2(6) . . . . ?
C55 C49 C50 C45 -179.2(4) . . . . ?
C46 C45 C50 O5 -174.8(3) . . . . ?
C44 C45 C50 O5 6.0(5) . . . . ?
C46 C45 C50 C49 2.4(6) . . . . ?
C44 C45 C50 C49 -176.8(4) . . . . ?
C48 C47 C51 C54 -14.3(10) . . . . ?
C46 C47 C51 C54 164.7(6) . . . . ?
C48 C47 C51 C53 125.1(7) . . . . ?
C46 C47 C51 C53 -55.9(9) . . . . ?
C48 C47 C51 C52 -125.1(6) . . . . ?
C46 C47 C51 C52 53.9(7) . . . . ?
C48 C49 C55 C2 39.0(6) . . . . ?
C50 C49 C55 C2 -142.0(4) . . . . ?
C1 C2 C55 C49 60.8(5) . . . . ?
C3 C2 C55 C49 -125.4(5) . . . . ?
C28 O3 C56 C57 174.6(3) . . . . ?
O3 C56 C57 C58 147.8(4) . . . . ?
O3 C56 C57 C62 -32.5(6) . . . . ?
C62 C57 C58 C59 0.7(7) . . . . ?
C56 C57 C58 C59 -179.6(4) . . . . ?
C57 C58 C59 C60 -1.0(7) . . . . ?
C58 C59 C60 C61 0.3(8) . . . . ?
C59 C60 C61 C62 0.8(8) . . . . ?
C58 C57 C62 C61 0.4(7) . . . . ?
C56 C57 C62 C61 -179.3(4) . . . . ?
C60 C61 C62 C57 -1.2(8) . . . . ?
Sb1 O6 C65 C67 153.4(7) . . . . ?
Sb1 O6 C65 C66 23.0(8) . . . . ?
Sb1 O6 C65 C68 -90.5(6) . . . . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 30660747
