#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/06/2220610.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_2220610
loop_
_publ_author_name
'Quan, Li'
'Yin, Handong'
'Wang, Daqi'
_publ_section_title
;
 A monoclinic polymorph of (nitrato-κO)tetraphenylantimony(V)
;
_journal_coeditor_code           RZ2272
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m23
_journal_paper_doi               10.1107/S1600536808040816
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Sb (C6 H5)4 (N O3)]'
_chemical_formula_moiety         'C24 H20 N O3 Sb'
_chemical_formula_sum            'C24 H20 N O3 Sb'
_chemical_formula_weight         492.17
_chemical_name_systematic
;
(nitrato-\kO)tetraphenylantimony(V)
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 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                 110.054(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   16.7500(19)
_cell_length_b                   12.0274(12)
_cell_length_c                   22.561(2)
_cell_measurement_reflns_used    4801
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.481
_cell_measurement_theta_min      2.513
_cell_volume                     4269.5(7)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       'φ and ω'
_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  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0483
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            10559
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.316
_exptl_absorpt_correction_T_max  0.737
_exptl_absorpt_correction_T_min  0.548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.529
_refine_diff_density_min         -0.358
_refine_ls_abs_structure_details 'Flack (1983), 2054 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.033(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         5811
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0304
_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)+(0.018P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0531
_refine_ls_wR_factor_ref         0.0559
_reflns_number_gt                5258
_reflns_number_total             5811
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            rz2272.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2220610
_cod_database_fobs_code          2220610
loop_
_symmetry_equiv_pos_as_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'
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb Sb1 0.28494(2) 0.37970(3) 0.346834(16) 0.03919(10) Uani d . 1 . .
Sb Sb2 0.261037(18) 0.14794(3) 0.063529(14) 0.03867(10) Uani d . 1 . .
N N1 0.0924(3) 0.2489(4) 0.2885(2) 0.0527(12) Uani d . 1 . .
N N2 0.4137(3) 0.0435(4) 0.0215(2) 0.0521(13) Uani d . 1 . .
O O1 0.1687(3) 0.2327(3) 0.2935(2) 0.0587(12) Uani d D 1 . .
O O2 0.0708(3) 0.3394(4) 0.3024(2) 0.0726(13) Uani d . 1 . .
O O3 0.0418(3) 0.1706(3) 0.26967(19) 0.0743(14) Uani d . 1 . .
O O4 0.4020(3) 0.1219(3) 0.05705(18) 0.0508(10) Uani d . 1 . .
O O5 0.3628(3) -0.0334(3) 0.0056(2) 0.0629(11) Uani d . 1 . .
O O6 0.4767(3) 0.0503(4) 0.0058(2) 0.0801(15) Uani d . 1 . .
C C1 0.3748(4) 0.5073(4) 0.3908(3) 0.0488(15) Uani d . 1 . .
C C2 0.4043(4) 0.5155(5) 0.4552(3) 0.0648(19) Uani d . 1 . .
H H2 0.3876 0.4633 0.4790 0.078 Uiso calc R 1 . .
C C3 0.4584(5) 0.5999(7) 0.4850(4) 0.092(3) Uani d . 1 . .
H H3 0.4787 0.6047 0.5288 0.111 Uiso calc R 1 . .
C C4 0.4818(5) 0.6762(7) 0.4497(6) 0.108(4) Uani d . 1 . .
H H4 0.5158 0.7357 0.4698 0.130 Uiso calc R 1 . .
C C5 0.4570(6) 0.6679(6) 0.3862(6) 0.096(3) Uani d . 1 . .
H H5 0.4770 0.7180 0.3632 0.115 Uiso calc R 1 . .
C C6 0.4013(4) 0.5836(5) 0.3556(3) 0.0682(19) Uani d . 1 . .
H H6 0.3819 0.5786 0.3118 0.082 Uiso calc R 1 . .
C C7 0.2344(3) 0.3543(4) 0.4186(2) 0.0374(12) Uani d . 1 . .
C C8 0.1843(4) 0.4354(5) 0.4318(3) 0.0566(16) Uani d . 1 . .
H H8 0.1707 0.4997 0.4074 0.068 Uiso calc R 1 . .
C C9 0.1546(4) 0.4210(6) 0.4809(3) 0.0676(19) Uani d . 1 . .
H H9 0.1199 0.4746 0.4893 0.081 Uiso calc R 1 . .
C C10 0.1763(5) 0.3269(6) 0.5178(3) 0.065(2) Uani d . 1 . .
H H10 0.1563 0.3170 0.5511 0.078 Uiso calc R 1 . .
C C11 0.2272(5) 0.2479(5) 0.5053(3) 0.0671(19) Uani d . 1 . .
H H11 0.2432 0.1856 0.5311 0.081 Uiso calc R 1 . .
C C12 0.2550(4) 0.2602(5) 0.4549(3) 0.0542(16) Uani d . 1 . .
H H12 0.2876 0.2048 0.4455 0.065 Uiso calc R 1 . .
C C13 0.3632(4) 0.2493(4) 0.3360(3) 0.0427(14) Uani d . 1 . .
C C14 0.4459(4) 0.2747(5) 0.3434(3) 0.0547(16) Uani d . 1 . .
H H14 0.4644 0.3478 0.3515 0.066 Uiso calc R 1 . .
C C15 0.5023(4) 0.1937(5) 0.3390(3) 0.0670(18) Uani d . 1 . .
H H15 0.5576 0.2125 0.3426 0.080 Uiso calc R 1 . .
C C16 0.4757(5) 0.0865(6) 0.3295(3) 0.074(2) Uani d . 1 . .
H H16 0.5129 0.0313 0.3261 0.089 Uiso calc R 1 . .
C C17 0.3960(5) 0.0597(5) 0.3249(4) 0.094(3) Uani d . 1 . .
H H17 0.3783 -0.0140 0.3188 0.113 Uiso calc R 1 . .
C C18 0.3416(4) 0.1387(5) 0.3291(4) 0.075(2) Uani d D 1 . .
H H18 0.2874 0.1178 0.3272 0.090 Uiso calc R 1 . .
C C19 0.2101(4) 0.4676(4) 0.2660(3) 0.0411(14) Uani d . 1 . .
C C20 0.1778(4) 0.5687(5) 0.2743(3) 0.0570(17) Uani d . 1 . .
H H20 0.1923 0.5992 0.3144 0.068 Uiso calc R 1 . .
C C21 0.1238(5) 0.6253(5) 0.2229(4) 0.063(2) Uani d . 1 . .
H H21 0.1012 0.6934 0.2287 0.075 Uiso calc R 1 . .
C C22 0.1035(4) 0.5821(6) 0.1644(3) 0.0652(18) Uani d . 1 . .
H H22 0.0667 0.6200 0.1298 0.078 Uiso calc R 1 . .
C C23 0.1376(5) 0.4822(6) 0.1561(3) 0.077(2) Uani d . 1 . .
H H23 0.1241 0.4528 0.1157 0.093 Uiso calc R 1 . .
C C24 0.1914(5) 0.4252(5) 0.2067(3) 0.0620(18) Uani d . 1 . .
H H24 0.2149 0.3580 0.2006 0.074 Uiso calc R 1 . .
C C25 0.1390(4) 0.1929(4) 0.0666(3) 0.0388(13) Uani d . 1 . .
C C26 0.1174(4) 0.1793(4) 0.1207(3) 0.0482(14) Uani d . 1 . .
H H26 0.1564 0.1477 0.1566 0.058 Uiso calc R 1 . .
C C27 0.0388(4) 0.2124(5) 0.1214(3) 0.0581(17) Uani d . 1 . .
H H27 0.0246 0.2020 0.1574 0.070 Uiso calc R 1 . .
C C28 -0.0182(4) 0.2607(5) 0.0686(3) 0.0634(18) Uani d . 1 . .
H H28 -0.0710 0.2834 0.0693 0.076 Uiso calc R 1 . .
C C29 0.0012(4) 0.2757(5) 0.0155(3) 0.0590(17) Uani d . 1 . .
H H29 -0.0380 0.3084 -0.0200 0.071 Uiso calc R 1 . .
C C30 0.0799(4) 0.2420(4) 0.0145(3) 0.0473(14) Uani d . 1 . .
H H30 0.0932 0.2526 -0.0219 0.057 Uiso calc R 1 . .
C C31 0.2257(3) 0.1317(4) -0.0351(2) 0.0374(12) Uani d . 1 . .
C C32 0.1621(4) 0.0557(4) -0.0652(3) 0.0491(15) Uani d . 1 . .
H H32 0.1331 0.0186 -0.0426 0.059 Uiso calc R 1 . .
C C33 0.1425(5) 0.0358(5) -0.1281(3) 0.0638(18) Uani d . 1 . .
H H33 0.1006 -0.0159 -0.1480 0.077 Uiso calc R 1 . .
C C34 0.1831(5) 0.0900(6) -0.1621(3) 0.075(2) Uani d . 1 . .
H H34 0.1695 0.0747 -0.2049 0.090 Uiso calc R 1 . .
C C35 0.2448(5) 0.1682(6) -0.1332(3) 0.0696(19) Uani d . 1 . .
H H35 0.2713 0.2072 -0.1569 0.084 Uiso calc R 1 . .
C C36 0.2670(4) 0.1886(5) -0.0696(3) 0.0538(16) Uani d . 1 . .
H H36 0.3093 0.2400 -0.0500 0.065 Uiso calc R 1 . .
C C37 0.3313(4) 0.2876(4) 0.1089(3) 0.0415(14) Uani d . 1 . .
C C38 0.3054(5) 0.3906(5) 0.0836(3) 0.081(2) Uani d . 1 . .
H H38 0.2579 0.3977 0.0472 0.097 Uiso calc R 1 . .
C C39 0.3499(6) 0.4832(6) 0.1123(4) 0.096(3) Uani d . 1 . .
H H39 0.3347 0.5525 0.0934 0.115 Uiso calc R 1 . .
C C40 0.4163(5) 0.4753(5) 0.1679(4) 0.076(2) Uani d . 1 . .
H H40 0.4441 0.5389 0.1882 0.092 Uiso calc R 1 . .
C C41 0.4408(6) 0.3744(6) 0.1930(3) 0.085(3) Uani d . 1 . .
H H41 0.4868 0.3680 0.2303 0.102 Uiso calc R 1 . .
C C42 0.3982(5) 0.2797(5) 0.1635(3) 0.076(2) Uani d . 1 . .
H H42 0.4156 0.2103 0.1814 0.092 Uiso calc R 1 . .
C C43 0.2844(4) 0.0027(4) 0.1198(2) 0.0464(15) Uani d . 1 . .
C C44 0.3643(5) -0.0344(5) 0.1516(3) 0.0638(19) Uani d . 1 . .
H H44 0.4115 0.0028 0.1488 0.077 Uiso calc R 1 . .
C C45 0.3738(7) -0.1310(7) 0.1892(4) 0.087(3) Uani d . 1 . .
H H45 0.4280 -0.1565 0.2121 0.104 Uiso calc R 1 . .
C C46 0.3045(8) -0.1871(7) 0.1923(4) 0.099(3) Uani d . 1 . .
H H46 0.3116 -0.2507 0.2170 0.118 Uiso calc R 1 . .
C C47 0.2247(6) -0.1499(5) 0.1589(4) 0.079(2) Uani d . 1 . .
H H47 0.1776 -0.1886 0.1609 0.095 Uiso calc R 1 . .
C C48 0.2133(5) -0.0553(4) 0.1223(3) 0.0577(17) Uani d . 1 . .
H H48 0.1589 -0.0303 0.0995 0.069 Uiso calc R 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'
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C7 Sb1 C19 . . 117.7(2) ?
C7 Sb1 C13 . . 114.42(19) ?
C19 Sb1 C13 . . 118.7(2) ?
C7 Sb1 C1 . . 98.8(2) ?
C19 Sb1 C1 . . 99.0(2) ?
C13 Sb1 C1 . . 102.7(2) ?
C7 Sb1 O1 . . 79.68(17) ?
C19 Sb1 O1 . . 79.16(17) ?
C13 Sb1 O1 . . 80.63(19) ?
C1 Sb1 O1 . . 176.65(18) ?
C37 Sb2 C31 . . 119.7(2) ?
C37 Sb2 C43 . . 114.2(2) ?
C31 Sb2 C43 . . 118.98(18) ?
C37 Sb2 C25 . . 99.4(2) ?
C31 Sb2 C25 . . 97.6(2) ?
C43 Sb2 C25 . . 99.9(2) ?
C37 Sb2 O4 . 1 74.92(18) ?
C31 Sb2 O4 . 1 81.46(17) ?
C43 Sb2 O4 . 1 86.89(19) ?
C25 Sb2 O4 . 1 172.60(18) ?
C37 Sb2 O4 . . 74.92(18) ?
C31 Sb2 O4 . . 81.46(17) ?
C43 Sb2 O4 . . 86.89(19) ?
C25 Sb2 O4 . . 172.60(18) ?
O4 Sb2 O4 1 . 0.0(2) ?
O2 N1 O3 . 1 122.5(6) ?
O2 N1 O3 . . 122.5(6) ?
O2 N1 O1 . . 119.8(5) ?
O3 N1 O1 1 . 117.8(5) ?
O3 N1 O1 . . 117.8(5) ?
O5 N2 O6 . . 123.2(5) ?
O5 N2 O4 . 1 119.5(5) ?
O6 N2 O4 . 1 117.3(5) ?
O5 N2 O4 . . 119.5(5) ?
O6 N2 O4 . . 117.3(5) ?
N1 O1 Sb1 . . 120.8(3) ?
N2 O4 Sb2 . . 119.1(3) ?
C2 C1 C6 . . 119.5(6) ?
C2 C1 Sb1 . . 118.9(5) ?
C6 C1 Sb1 . . 121.6(5) ?
C1 C2 C3 . . 120.7(7) ?
C1 C2 H2 . . 119.7 ?
C3 C2 H2 . . 119.7 ?
C4 C3 C2 . . 119.1(9) ?
C4 C3 H3 . . 120.4 ?
C2 C3 H3 . . 120.4 ?
C5 C4 C3 . . 121.7(8) ?
C5 C4 H4 . . 119.1 ?
C3 C4 H4 . . 119.1 ?
C4 C5 C6 . . 119.3(8) ?
C4 C5 H5 . . 120.3 ?
C6 C5 H5 . . 120.3 ?
C1 C6 C5 . . 119.5(7) ?
C1 C6 H6 . . 120.2 ?
C5 C6 H6 . . 120.2 ?
C12 C7 C8 . . 120.0(5) ?
C12 C7 Sb1 . . 119.8(4) ?
C8 C7 Sb1 . . 120.0(4) ?
C9 C8 C7 . . 119.9(6) ?
C9 C8 H8 . . 120.0 ?
C7 C8 H8 . . 120.0 ?
C8 C9 C10 . . 119.8(6) ?
C8 C9 H9 . . 120.1 ?
C10 C9 H9 . . 120.1 ?
C11 C10 C9 . . 120.0(6) ?
C11 C10 H10 . . 120.0 ?
C9 C10 H10 . . 120.0 ?
C10 C11 C12 . . 120.4(6) ?
C10 C11 H11 . . 119.8 ?
C12 C11 H11 . . 119.8 ?
C7 C12 C11 . . 119.7(6) ?
C7 C12 H12 . . 120.2 ?
C11 C12 H12 . . 120.2 ?
C14 C13 C18 . . 116.4(5) ?
C14 C13 Sb1 . . 117.5(4) ?
C18 C13 Sb1 . . 125.7(4) ?
C13 C14 C15 . . 121.4(6) ?
C13 C14 H14 . . 119.3 ?
C15 C14 H14 . . 119.3 ?
C16 C15 C14 . . 119.0(6) ?
C16 C15 H15 . . 120.5 ?
C14 C15 H15 . . 120.5 ?
C17 C16 C15 . . 120.2(6) ?
C17 C16 H16 . . 119.9 ?
C15 C16 H16 . . 119.9 ?
C16 C17 C18 . . 120.4(6) ?
C16 C17 H17 . . 119.8 ?
C18 C17 H17 . . 119.8 ?
C13 C18 C17 . . 122.4(6) ?
C13 C18 H18 . . 118.8 ?
C17 C18 H18 . . 118.8 ?
C24 C19 C20 . . 119.7(6) ?
C24 C19 Sb1 . . 122.0(4) ?
C20 C19 Sb1 . . 118.2(4) ?
C19 C20 C21 . . 120.0(6) ?
C19 C20 H20 . . 120.0 ?
C21 C20 H20 . . 120.0 ?
C22 C21 C20 . . 120.3(6) ?
C22 C21 H21 . . 119.9 ?
C20 C21 H21 . . 119.9 ?
C21 C22 C23 . . 119.6(6) ?
C21 C22 H22 . . 120.2 ?
C23 C22 H22 . . 120.2 ?
C22 C23 C24 . . 120.7(6) ?
C22 C23 H23 . . 119.6 ?
C24 C23 H23 . . 119.6 ?
C19 C24 C23 . . 119.6(6) ?
C19 C24 H24 . . 120.2 ?
C23 C24 H24 . . 120.2 ?
C30 C25 C26 . . 117.9(5) ?
C30 C25 Sb2 . . 119.6(4) ?
C26 C25 Sb2 . . 122.3(4) ?
C27 C26 C25 . . 120.7(6) ?
C27 C26 H26 . . 119.7 ?
C25 C26 H26 . . 119.7 ?
C28 C27 C26 . . 119.6(6) ?
C28 C27 H27 . . 120.2 ?
C26 C27 H27 . . 120.2 ?
C29 C28 C27 . . 121.1(6) ?
C29 C28 H28 . . 119.5 ?
C27 C28 H28 . . 119.5 ?
C28 C29 C30 . . 119.4(6) ?
C28 C29 H29 . . 120.3 ?
C30 C29 H29 . . 120.3 ?
C29 C30 C25 . . 121.3(6) ?
C29 C30 H30 . . 119.4 ?
C25 C30 H30 . . 119.4 ?
C36 C31 C32 . . 119.7(5) ?
C36 C31 Sb2 . . 122.3(4) ?
C32 C31 Sb2 . . 117.9(4) ?
C33 C32 C31 . . 119.6(6) ?
C33 C32 H32 . . 120.2 ?
C31 C32 H32 . . 120.2 ?
C34 C33 C32 . . 121.1(6) ?
C34 C33 H33 . . 119.4 ?
C32 C33 H33 . . 119.4 ?
C33 C34 C35 . . 119.9(6) ?
C33 C34 H34 . . 120.1 ?
C35 C34 H34 . . 120.1 ?
C36 C35 C34 . . 120.3(6) ?
C36 C35 H35 . . 119.8 ?
C34 C35 H35 . . 119.8 ?
C35 C36 C31 . . 119.3(6) ?
C35 C36 H36 . . 120.4 ?
C31 C36 H36 . . 120.4 ?
C42 C37 C38 . . 119.2(6) ?
C42 C37 Sb2 . . 122.5(4) ?
C38 C37 Sb2 . . 118.3(5) ?
C37 C38 C39 . . 119.5(7) ?
C37 C38 H38 . . 120.2 ?
C39 C38 H38 . . 120.2 ?
C40 C39 C38 . . 121.1(6) ?
C40 C39 H39 . . 119.4 ?
C38 C39 H39 . . 119.4 ?
C41 C40 C39 . . 119.0(6) ?
C41 C40 H40 . . 120.5 ?
C39 C40 H40 . . 120.5 ?
C40 C41 C42 . . 120.5(7) ?
C40 C41 H41 . . 119.7 ?
C42 C41 H41 . . 119.7 ?
C37 C42 C41 . . 120.5(6) ?
C37 C42 H42 . . 119.8 ?
C41 C42 H42 . . 119.8 ?
C44 C43 C48 . . 120.9(6) ?
C44 C43 Sb2 . . 122.3(5) ?
C48 C43 Sb2 . . 116.8(4) ?
C43 C44 C45 . . 118.3(8) ?
C43 C44 H44 . . 120.9 ?
C45 C44 H44 . . 120.9 ?
C46 C45 C44 . . 120.9(8) ?
C46 C45 H45 . . 119.5 ?
C44 C45 H45 . . 119.5 ?
C47 C46 C45 . . 119.9(7) ?
C47 C46 H46 . . 120.1 ?
C45 C46 H46 . . 120.1 ?
C46 C47 C48 . . 120.5(8) ?
C46 C47 H47 . . 119.7 ?
C48 C47 H47 . . 119.7 ?
C47 C48 C43 . . 119.4(7) ?
C47 C48 H48 . . 120.3 ?
C43 C48 H48 . . 120.3 ?
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
Sb1 C7 . 2.091(5) y
Sb1 C19 . 2.108(5) y
Sb1 C13 . 2.111(5) y
Sb1 C1 . 2.140(6) y
Sb1 O1 . 2.600(4) y
Sb2 C37 . 2.105(5) y
Sb2 C31 . 2.106(5) y
Sb2 C43 . 2.115(5) y
Sb2 C25 . 2.139(6) y
Sb2 O4 1 2.435(4) y
Sb2 O4 . 2.435(4) y
N1 O2 . 1.222(6) ?
N1 O3 1 1.240(6) ?
N1 O3 . 1.240(6) ?
N1 O1 . 1.259(6) ?
N2 O5 . 1.224(6) ?
N2 O6 . 1.226(6) ?
N2 O4 1 1.296(6) ?
N2 O4 . 1.296(6) ?
C1 C2 . 1.370(8) ?
C1 C6 . 1.381(8) ?
C2 C3 . 1.373(9) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.358(12) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.352(12) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.391(10) ?
C5 H5 . 0.9300 ?
C6 H6 . 0.9300 ?
C7 C12 . 1.370(7) ?
C7 C8 . 1.385(7) ?
C8 C9 . 1.372(8) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.378(9) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.369(9) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.377(8) ?
C11 H11 . 0.9300 ?
C12 H12 . 0.9300 ?
C13 C14 . 1.372(8) ?
C13 C18 . 1.373(7) ?
C14 C15 . 1.384(8) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.357(9) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.344(10) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.342(8) ?
C17 H17 . 0.9300 ?
C18 H18 . 0.9300 ?
C19 C24 . 1.365(7) ?
C19 C20 . 1.369(7) ?
C20 C21 . 1.381(9) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.350(9) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.370(9) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.371(9) ?
C23 H23 . 0.9300 ?
C24 H24 . 0.9300 ?
C25 C30 . 1.382(7) ?
C25 C26 . 1.396(7) ?
C26 C27 . 1.381(8) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.374(9) ?
C27 H27 . 0.9300 ?
C28 C29 . 1.357(8) ?
C28 H28 . 0.9300 ?
C29 C30 . 1.387(8) ?
C29 H29 . 0.9300 ?
C30 H30 . 0.9300 ?
C31 C36 . 1.386(7) ?
C31 C32 . 1.392(7) ?
C32 C33 . 1.364(8) ?
C32 H32 . 0.9300 ?
C33 C34 . 1.354(9) ?
C33 H33 . 0.9300 ?
C34 C35 . 1.384(10) ?
C34 H34 . 0.9300 ?
C35 C36 . 1.375(8) ?
C35 H35 . 0.9300 ?
C36 H36 . 0.9300 ?
C37 C42 . 1.355(8) ?
C37 C38 . 1.371(7) ?
C38 C39 . 1.373(8) ?
C38 H38 . 0.9300 ?
C39 C40 . 1.365(10) ?
C39 H39 . 0.9300 ?
C40 C41 . 1.342(9) ?
C40 H40 . 0.9300 ?
C41 C42 . 1.386(8) ?
C41 H41 . 0.9300 ?
C42 H42 . 0.9300 ?
C43 C44 . 1.358(9) ?
C43 C48 . 1.398(8) ?
C44 C45 . 1.415(10) ?
C44 H44 . 0.9300 ?
C45 C46 . 1.365(12) ?
C45 H45 . 0.9300 ?
C46 C47 . 1.365(12) ?
C46 H46 . 0.9300 ?
C47 C48 . 1.381(8) ?
C47 H47 . 0.9300 ?
C48 H48 . 0.9300 ?
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
C27 H27 O3 1 0.93 2.48 3.366(8) 159.7
C45 H45 O2 3_545 0.93 2.55 3.429(10) 156.7
C9 H9 O6 4_455 0.93 2.57 3.233(8) 128.9
C40 H40 O3 3 0.93 2.55 3.449(8) 162.6
C12 H12 O5 2 0.93 2.55 3.255(7) 132.7
C33 H33 O3 2_554 0.93 2.57 3.414(8) 150.4
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
O2 N1 O1 Sb1 . . . . 8.1(7) ?
O3 N1 O1 Sb1 1 . . . -171.4(3) ?
O3 N1 O1 Sb1 . . . . -171.4(3) ?
C7 Sb1 O1 N1 . . . . 55.1(4) ?
C19 Sb1 O1 N1 . . . . -65.9(4) ?
C13 Sb1 O1 N1 . . . . 172.2(4) ?
O2 N1 O3 O3 . . . 1 0.00(11) ?
O1 N1 O3 O3 . . . 1 0.00(14) ?
O5 N2 O4 O4 . . . 1 0.00(6) ?
O6 N2 O4 O4 . . . 1 0.00(17) ?
O5 N2 O4 Sb2 . . . . -19.6(6) ?
O6 N2 O4 Sb2 . . . . 161.1(4) ?
O4 N2 O4 Sb2 1 . . . 0E1(3) ?
C37 Sb2 O4 O4 . . . 1 0.000(9) ?
C31 Sb2 O4 O4 . . . 1 0.00(4) ?
C43 Sb2 O4 O4 . . . 1 0.00(3) ?
C37 Sb2 O4 N2 . . . . -169.9(4) ?
C31 Sb2 O4 N2 . . . . -45.8(4) ?
C43 Sb2 O4 N2 . . . . 74.1(4) ?
O4 Sb2 O4 N2 1 . . . 0(2) ?
C7 Sb1 C1 C2 . . . . 23.8(5) ?
C19 Sb1 C1 C2 . . . . 143.8(5) ?
C13 Sb1 C1 C2 . . . . -93.9(5) ?
C7 Sb1 C1 C6 . . . . -153.9(5) ?
C19 Sb1 C1 C6 . . . . -33.9(5) ?
C13 Sb1 C1 C6 . . . . 88.5(5) ?
C6 C1 C2 C3 . . . . 1.3(10) ?
Sb1 C1 C2 C3 . . . . -176.4(5) ?
C1 C2 C3 C4 . . . . 0.6(11) ?
C2 C3 C4 C5 . . . . -3.6(13) ?
C3 C4 C5 C6 . . . . 4.6(13) ?
C2 C1 C6 C5 . . . . -0.4(9) ?
Sb1 C1 C6 C5 . . . . 177.3(5) ?
C4 C5 C6 C1 . . . . -2.5(11) ?
C19 Sb1 C7 C12 . . . . 148.2(4) ?
C13 Sb1 C7 C12 . . . . 1.7(5) ?
C1 Sb1 C7 C12 . . . . -106.7(5) ?
O1 Sb1 C7 C12 . . . . 76.4(4) ?
C19 Sb1 C7 C8 . . . . -35.6(5) ?
C13 Sb1 C7 C8 . . . . 177.9(4) ?
C1 Sb1 C7 C8 . . . . 69.5(5) ?
O1 Sb1 C7 C8 . . . . -107.4(5) ?
C12 C7 C8 C9 . . . . -0.6(9) ?
Sb1 C7 C8 C9 . . . . -176.8(5) ?
C7 C8 C9 C10 . . . . 1.4(10) ?
C8 C9 C10 C11 . . . . -0.1(10) ?
C9 C10 C11 C12 . . . . -2.0(11) ?
C8 C7 C12 C11 . . . . -1.5(9) ?
Sb1 C7 C12 C11 . . . . 174.7(5) ?
C10 C11 C12 C7 . . . . 2.8(10) ?
C7 Sb1 C13 C14 . . . . -120.3(4) ?
C19 Sb1 C13 C14 . . . . 93.5(5) ?
C1 Sb1 C13 C14 . . . . -14.3(5) ?
O1 Sb1 C13 C14 . . . . 165.6(5) ?
C7 Sb1 C13 C18 . . . . 52.0(6) ?
C19 Sb1 C13 C18 . . . . -94.2(6) ?
C1 Sb1 C13 C18 . . . . 158.0(6) ?
O1 Sb1 C13 C18 . . . . -22.1(6) ?
C18 C13 C14 C15 . . . . 5.0(10) ?
Sb1 C13 C14 C15 . . . . 178.0(5) ?
C13 C14 C15 C16 . . . . -2.4(10) ?
C14 C15 C16 C17 . . . . -0.6(11) ?
C15 C16 C17 C18 . . . . 0.7(13) ?
C14 C13 C18 C17 . . . . -4.9(11) ?
Sb1 C13 C18 C17 . . . . -177.3(6) ?
C16 C17 C18 C13 . . . . 2.2(13) ?
C7 Sb1 C19 C24 . . . . -126.0(5) ?
C13 Sb1 C19 C24 . . . . 19.1(6) ?
C1 Sb1 C19 C24 . . . . 129.0(5) ?
O1 Sb1 C19 C24 . . . . -53.8(5) ?
C7 Sb1 C19 C20 . . . . 52.2(5) ?
C13 Sb1 C19 C20 . . . . -162.8(5) ?
C1 Sb1 C19 C20 . . . . -52.8(5) ?
O1 Sb1 C19 C20 . . . . 124.3(5) ?
C24 C19 C20 C21 . . . . 2.7(9) ?
Sb1 C19 C20 C21 . . . . -175.5(5) ?
C19 C20 C21 C22 . . . . -1.0(10) ?
C20 C21 C22 C23 . . . . -0.6(11) ?
C21 C22 C23 C24 . . . . 0.6(11) ?
C20 C19 C24 C23 . . . . -2.7(10) ?
Sb1 C19 C24 C23 . . . . 175.5(5) ?
C22 C23 C24 C19 . . . . 1.0(11) ?
C37 Sb2 C25 C30 . . . . 97.3(4) ?
C31 Sb2 C25 C30 . . . . -24.6(4) ?
C43 Sb2 C25 C30 . . . . -145.9(4) ?
C37 Sb2 C25 C26 . . . . -79.6(4) ?
C31 Sb2 C25 C26 . . . . 158.5(4) ?
C43 Sb2 C25 C26 . . . . 37.2(5) ?
C30 C25 C26 C27 . . . . 1.1(8) ?
Sb2 C25 C26 C27 . . . . 178.1(4) ?
C25 C26 C27 C28 . . . . -1.0(9) ?
C26 C27 C28 C29 . . . . 0.5(9) ?
C27 C28 C29 C30 . . . . -0.1(9) ?
C28 C29 C30 C25 . . . . 0.2(9) ?
C26 C25 C30 C29 . . . . -0.7(8) ?
Sb2 C25 C30 C29 . . . . -177.8(4) ?
C37 Sb2 C31 C36 . . . . 20.3(5) ?
C43 Sb2 C31 C36 . . . . -128.5(4) ?
C25 Sb2 C31 C36 . . . . 125.7(4) ?
O4 Sb2 C31 C36 1 . . . -46.9(4) ?
O4 Sb2 C31 C36 . . . . -46.9(4) ?
C37 Sb2 C31 C32 . . . . -163.8(4) ?
C43 Sb2 C31 C32 . . . . 47.5(5) ?
C25 Sb2 C31 C32 . . . . -58.3(4) ?
O4 Sb2 C31 C32 1 . . . 129.1(4) ?
O4 Sb2 C31 C32 . . . . 129.1(4) ?
C36 C31 C32 C33 . . . . 1.7(8) ?
Sb2 C31 C32 C33 . . . . -174.4(4) ?
C31 C32 C33 C34 . . . . -1.0(9) ?
C32 C33 C34 C35 . . . . -0.9(10) ?
C33 C34 C35 C36 . . . . 2.1(10) ?
C34 C35 C36 C31 . . . . -1.4(10) ?
C32 C31 C36 C35 . . . . -0.5(8) ?
Sb2 C31 C36 C35 . . . . 175.4(4) ?
C31 Sb2 C37 C42 . . . . -136.7(6) ?
C43 Sb2 C37 C42 . . . . 13.4(6) ?
C25 Sb2 C37 C42 . . . . 118.9(6) ?
O4 Sb2 C37 C42 1 . . . -66.0(6) ?
O4 Sb2 C37 C42 . . . . -66.0(6) ?
C31 Sb2 C37 C38 . . . . 46.6(6) ?
C43 Sb2 C37 C38 . . . . -163.2(5) ?
C25 Sb2 C37 C38 . . . . -57.8(5) ?
O4 Sb2 C37 C38 1 . . . 117.3(5) ?
O4 Sb2 C37 C38 . . . . 117.3(5) ?
C42 C37 C38 C39 . . . . 3.1(12) ?
Sb2 C37 C38 C39 . . . . 179.9(6) ?
C37 C38 C39 C40 . . . . -4.4(13) ?
C38 C39 C40 C41 . . . . 3.6(14) ?
C39 C40 C41 C42 . . . . -1.5(14) ?
C38 C37 C42 C41 . . . . -1.1(12) ?
Sb2 C37 C42 C41 . . . . -177.7(6) ?
C40 C41 C42 C37 . . . . 0.2(13) ?
C37 Sb2 C43 C44 . . . . -49.6(5) ?
C31 Sb2 C43 C44 . . . . 100.8(5) ?
C25 Sb2 C43 C44 . . . . -154.8(5) ?
O4 Sb2 C43 C44 1 . . . 22.3(5) ?
O4 Sb2 C43 C44 . . . . 22.3(5) ?
C37 Sb2 C43 C48 . . . . 131.2(4) ?
C31 Sb2 C43 C48 . . . . -78.4(5) ?
C25 Sb2 C43 C48 . . . . 26.0(4) ?
O4 Sb2 C43 C48 1 . . . -156.9(4) ?
O4 Sb2 C43 C48 . . . . -156.9(4) ?
C48 C43 C44 C45 . . . . -2.2(9) ?
Sb2 C43 C44 C45 . . . . 178.6(5) ?
C43 C44 C45 C46 . . . . 1.6(11) ?
C44 C45 C46 C47 . . . . -0.2(12) ?
C45 C46 C47 C48 . . . . -0.4(12) ?
C46 C47 C48 C43 . . . . -0.3(10) ?
C44 C43 C48 C47 . . . . 1.6(9) ?
Sb2 C43 C48 C47 . . . . -179.1(4) ?
