#------------------------------------------------------------------------------
#$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/86/7008635.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_7008635
loop_
_publ_author_name
'Tanski, Joseph M.'
'Kelly, Bryte V.'
'Parkin, Gerard'
_publ_section_title
;
 Multidentate aryloxide and oxo-aryloxide complexes of antimony:
 synthesis and structural characterization of
 [eta4-N(o-C6H4O)3]Sb(OSMe2), {{[eta3-N(o-C6H4OH)-
 (o-C6H4O)2]Sb}2(mu2-O)}2 and {[eta3-PhN(o-C6H4O)2]Sb}4(mu3-O)2.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2442
_journal_page_last               2447
_journal_paper_doi               10.1039/b505308k
_journal_year                    2005
_chemical_formula_sum            'C44.72 H43.44 N2 O9.18 Sb2'
_chemical_formula_weight         999.27
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.5440(10)
_cell_angle_beta                 99.9690(10)
_cell_angle_gamma                108.3350(10)
_cell_formula_units_Z            2
_cell_length_a                   13.1256(7)
_cell_length_b                   13.3738(8)
_cell_length_c                   14.4188(8)
_cell_measurement_temperature    243(2)
_cell_volume                     2111.9(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      243(2)
_diffrn_measured_fraction_theta_full 0.879
_diffrn_measured_fraction_theta_max 0.879
_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  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0307
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14427
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    1.337
_exptl_absorpt_correction_T_max  0.7310
_exptl_absorpt_correction_T_min  0.6898
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1002
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.037
_refine_diff_density_min         -0.898
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       0.0003(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         9236
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0335
_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)+(0.0625P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.0962
_reflns_number_gt                7295
_reflns_number_total             9236
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b505308k.txt
_cod_data_source_block           sb2os20
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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:

'_refine_ls_hydrogen_treatment' value 'constrained' was replaced with
the value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008635
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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 0.316967(16) 0.589143(19) 0.257949(16) 0.03332(8) Uani 1 1 d . . .
Sb2 Sb 0.452734(18) 0.612284(19) 0.081910(16) 0.03546(8) Uani 1 1 d . . .
O1 O 0.38441(19) 0.5185(2) 0.15141(17) 0.0383(5) Uani 1 1 d . . .
O13 O 0.09433(19) 0.6006(2) 0.28539(19) 0.0470(6) Uani 1 1 d . . .
H13A H 0.0765 0.6224 0.2404 0.070 Uiso 1 1 calc R . .
O21 O 0.29690(19) 0.6000(2) 0.02035(19) 0.0470(6) Uani 1 1 d . . .
O22 O 0.4881(2) 0.7534(2) 0.21803(17) 0.0428(5) Uani 1 1 d . . .
O23 O 0.53275(18) 0.64238(19) -0.10122(17) 0.0378(5) Uani 1 1 d . . .
H23A H 0.5670 0.5988 -0.1126 0.057 Uiso 1 1 calc R . .
N1 N 0.2637(2) 0.6021(2) 0.42629(19) 0.0337(6) Uani 1 1 d . . .
N2 N 0.4700(2) 0.7910(2) 0.04076(19) 0.0313(5) Uani 1 1 d . . .
C13 C 0.0270(3) 0.2541(4) 0.3184(3) 0.0583(10) Uani 1 1 d . . .
H13B H -0.0227 0.1752 0.2950 0.070 Uiso 1 1 calc R . .
C14 C 0.0298(3) 0.3401(4) 0.4073(3) 0.0558(10) Uani 1 1 d . . .
H14A H -0.0195 0.3207 0.4441 0.067 Uiso 1 1 calc R . .
C15 C 0.1049(3) 0.4564(4) 0.4442(3) 0.0478(9) Uani 1 1 d . . .
H15A H 0.1069 0.5157 0.5060 0.057 Uiso 1 1 calc R . .
C16 C 0.1773(3) 0.4846(3) 0.3891(2) 0.0367(7) Uani 1 1 d . . .
C17 C 0.4648(3) 0.6421(3) 0.4640(2) 0.0381(7) Uani 1 1 d . . .
C18 C 0.5671(3) 0.6619(3) 0.5298(3) 0.0477(9) Uani 1 1 d . . .
H18A H 0.6325 0.6781 0.5096 0.057 Uiso 1 1 calc R . .
C19 C 0.5733(3) 0.6579(3) 0.6242(3) 0.0523(9) Uani 1 1 d . . .
H19A H 0.6431 0.6718 0.6684 0.063 Uiso 1 1 calc R . .
C21 C 0.4654(3) 0.8459(3) 0.2195(3) 0.0377(7) Uani 1 1 d . . .
C22 C 0.4510(3) 0.9191(3) 0.3097(3) 0.0493(9) Uani 1 1 d . . .
H22A H 0.4591 0.9053 0.3694 0.059 Uiso 1 1 calc R . .
C23 C 0.4249(3) 1.0112(4) 0.3110(3) 0.0599(11) Uani 1 1 d . . .
H23B H 0.4173 1.0613 0.3726 0.072 Uiso 1 1 calc R . .
C24 C 0.4096(3) 1.0316(3) 0.2237(3) 0.0566(10) Uani 1 1 d . . .
H24A H 0.3899 1.0937 0.2250 0.068 Uiso 1 1 calc R . .
C25 C 0.4237(3) 0.9598(3) 0.1345(3) 0.0450(8) Uani 1 1 d . . .
H25A H 0.4126 0.9724 0.0742 0.054 Uiso 1 1 calc R . .
C26 C 0.4542(2) 0.8690(3) 0.1332(2) 0.0347(7) Uani 1 1 d . . .
C27 C 0.2818(3) 0.6373(3) -0.0554(3) 0.0392(7) Uani 1 1 d . . .
C28 C 0.1792(3) 0.5818(4) -0.1366(3) 0.0511(9) Uani 1 1 d . . .
H28A H 0.1199 0.5171 -0.1405 0.061 Uiso 1 1 calc R . .
C29 C 0.1640(3) 0.6215(4) -0.2116(3) 0.0499(9) Uani 1 1 d . . .
H29A H 0.0935 0.5853 -0.2651 0.060 Uiso 1 1 calc R . .
C110 C 0.4789(3) 0.6338(4) 0.6551(3) 0.0529(9) Uani 1 1 d . . .
H11A H 0.4841 0.6304 0.7195 0.063 Uiso 1 1 calc R . .
C111 C 0.3766(3) 0.6148(3) 0.5914(3) 0.0433(8) Uani 1 1 d . . .
H11B H 0.3117 0.5980 0.6122 0.052 Uiso 1 1 calc R . .
C112 C 0.3695(3) 0.6206(3) 0.4963(2) 0.0358(7) Uani 1 1 d . . .
C113 C 0.1421(3) 0.6947(3) 0.3824(3) 0.0418(8) Uani 1 1 d . . .
C114 C 0.1089(3) 0.7871(4) 0.4096(3) 0.0582(10) Uani 1 1 d . . .
H11C H 0.0507 0.7852 0.3598 0.070 Uiso 1 1 calc R . .
C115 C 0.1600(4) 0.8822(4) 0.5088(4) 0.0699(12) Uani 1 1 d . . .
H11D H 0.1358 0.9438 0.5267 0.084 Uiso 1 1 calc R . .
C116 C 0.2459(4) 0.8863(4) 0.5806(3) 0.0635(11) Uani 1 1 d . . .
H11E H 0.2822 0.9519 0.6475 0.076 Uiso 1 1 calc R . .
C117 C 0.2800(3) 0.7949(3) 0.5557(3) 0.0478(8) Uani 1 1 d . . .
H11F H 0.3391 0.7986 0.6059 0.057 Uiso 1 1 calc R . .
C118 C 0.2280(3) 0.6976(3) 0.4573(3) 0.0379(7) Uani 1 1 d . . .
C210 C 0.2518(3) 0.7139(3) -0.2085(3) 0.0439(8) Uani 1 1 d . . .
H21A H 0.2414 0.7397 -0.2604 0.053 Uiso 1 1 calc R . .
C211 C 0.3550(3) 0.7684(3) -0.1290(3) 0.0384(7) Uani 1 1 d . . .
H21B H 0.4156 0.8299 -0.1279 0.046 Uiso 1 1 calc R . .
C212 C 0.3689(2) 0.7323(3) -0.0512(2) 0.0329(6) Uani 1 1 d . . .
C213 C 0.6093(2) 0.7570(3) -0.0459(2) 0.0331(6) Uani 1 1 d . . .
C214 C 0.7144(3) 0.7970(3) -0.0590(3) 0.0439(8) Uani 1 1 d . . .
H21C H 0.7342 0.7445 -0.1087 0.053 Uiso 1 1 calc R . .
C215 C 0.7895(3) 0.9132(4) 0.0003(3) 0.0540(10) Uani 1 1 d . . .
H21D H 0.8605 0.9397 -0.0091 0.065 Uiso 1 1 calc R . .
C216 C 0.7619(3) 0.9917(3) 0.0737(3) 0.0515(9) Uani 1 1 d . . .
H21E H 0.8140 1.0709 0.1147 0.062 Uiso 1 1 calc R . .
C217 C 0.6568(3) 0.9525(3) 0.0861(3) 0.0389(7) Uani 1 1 d . . .
H21F H 0.6377 1.0059 0.1358 0.047 Uiso 1 1 calc R . .
C218 C 0.5791(2) 0.8362(3) 0.0268(2) 0.0320(6) Uani 1 1 d . . .
O1S O 0.6636(3) 0.6301(4) 0.1861(4) 0.1131(15) Uani 1 1 d D . .
C1S C 0.7564(7) 0.7284(10) 0.2022(10) 0.219(6) Uani 1 1 d D . .
H1SA H 0.7348 0.7725 0.1670 0.262 Uiso 1 1 calc R . .
H1SB H 0.8168 0.7080 0.1806 0.262 Uiso 1 1 calc R . .
C2S C 0.7874(13) 0.7921(9) 0.3185(10) 0.293(11) Uani 1 1 d D . .
H2SA H 0.8630 0.8573 0.3485 0.351 Uiso 1 1 calc R . .
H2SB H 0.7325 0.8246 0.3372 0.351 Uiso 1 1 calc R . .
C3S C 0.7869(8) 0.7102(13) 0.3574(8) 0.262(9) Uani 1 1 d D . .
H3SA H 0.7786 0.7347 0.4276 0.314 Uiso 1 1 calc R . .
H3SB H 0.8542 0.6930 0.3583 0.314 Uiso 1 1 calc R . .
C4S C 0.6842(5) 0.6122(6) 0.2750(4) 0.0954(18) Uani 1 1 d D . .
H4SA H 0.6934 0.5381 0.2569 0.114 Uiso 1 1 calc R . .
H4SB H 0.6193 0.6060 0.3010 0.114 Uiso 1 1 calc R . .
O2S O 0.0373(2) 0.6798(3) 0.1421(2) 0.0734(9) Uani 1 1 d D . .
C5S C 0.1363(4) 0.7634(6) 0.1464(5) 0.118(3) Uani 1 1 d D . .
H5SA H 0.1885 0.7271 0.1268 0.142 Uiso 1 1 calc R . .
H5SB H 0.1745 0.8282 0.2181 0.142 Uiso 1 1 calc R . .
C6S C 0.1037(5) 0.8081(7) 0.0722(6) 0.137(3) Uani 1 1 d D . .
H6SA H 0.1072 0.8874 0.1102 0.164 Uiso 1 1 calc R . .
H6SB H 0.1545 0.8115 0.0298 0.164 Uiso 1 1 calc R . .
C7S C -0.0108(5) 0.7261(7) 0.0060(6) 0.131(3) Uani 1 1 d D . .
H7SA H -0.0621 0.7661 0.0113 0.158 Uiso 1 1 calc R . .
H7SB H -0.0148 0.6888 -0.0679 0.158 Uiso 1 1 calc R . .
C8S C -0.0400(6) 0.6411(7) 0.0443(5) 0.148(4) Uani 1 1 d D . .
H8SA H -0.1161 0.6258 0.0503 0.177 Uiso 1 1 calc R . .
H8SB H -0.0417 0.5670 -0.0058 0.177 Uiso 1 1 calc R . .
O3S O 0.0477(19) 0.014(2) 0.1993(19) 0.110(6) Uiso 0.180(5) 1 d PD . .
C9S C -0.010(3) -0.030(3) 0.259(2) 0.110(6) Uiso 0.180(5) 1 d PD . .
H9SA H -0.0289 -0.1144 0.2317 0.132 Uiso 0.180(5) 1 calc PR . .
H9SB H -0.0814 -0.0197 0.2517 0.132 Uiso 0.180(5) 1 calc PR . .
C10S C 0.058(2) 0.031(3) 0.371(2) 0.110(6) Uiso 0.180(5) 1 d PD . .
H10A H 0.0429 0.0985 0.4101 0.132 Uiso 0.180(5) 1 calc PR . .
H10B H 0.0445 -0.0230 0.4033 0.132 Uiso 0.180(5) 1 calc PR . .
O11 O 0.24314(19) 0.4241(2) 0.24154(18) 0.0412(5) Uani 1 1 d . . .
C11 C 0.1731(3) 0.3976(3) 0.2964(3) 0.0384(7) Uani 1 1 d . . .
C11S C 0.170(3) 0.067(3) 0.366(2) 0.110(6) Uiso 0.180(5) 1 d PD . .
H11G H 0.2018 0.0111 0.3710 0.132 Uiso 0.180(5) 1 calc PR . .
H11H H 0.2188 0.1453 0.4236 0.132 Uiso 0.180(5) 1 calc PR . .
O12 O 0.46057(18) 0.6429(2) 0.37008(18) 0.0474(6) Uani 1 1 d . . .
C12 C 0.0976(3) 0.2825(3) 0.2614(3) 0.0508(9) Uani 1 1 d . . .
H12A H 0.0936 0.2227 0.1988 0.061 Uiso 1 1 calc R . .
C12S C 0.162(2) 0.069(3) 0.265(2) 0.110(6) Uiso 0.180(5) 1 d PD . .
H12B H 0.1954 0.1504 0.2763 0.132 Uiso 0.180(5) 1 calc PR . .
H12C H 0.2041 0.0271 0.2300 0.132 Uiso 0.180(5) 1 calc PR . .
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O12 Sb1 O1 88.76(9) . . ?
O12 Sb1 O11 97.87(10) . . ?
O1 Sb1 O11 84.74(9) . . ?
O12 Sb1 N1 73.70(8) . . ?
O1 Sb1 N1 147.87(8) . . ?
O11 Sb1 N1 71.67(9) . . ?
O12 Sb1 O22 75.14(8) . . ?
O1 Sb1 O22 63.59(8) . . ?
O11 Sb1 O22 147.40(8) . . ?
N1 Sb1 O22 132.96(7) . . ?
O1 Sb2 O22 85.21(9) . . ?
O1 Sb2 O21 87.59(9) . . ?
O22 Sb2 O21 93.74(10) . . ?
O1 Sb2 N2 146.45(8) . . ?
O22 Sb2 N2 71.99(8) . . ?
O21 Sb2 N2 70.20(8) . . ?
O1 Sb2 O1S 87.52(10) . . ?
O22 Sb2 O1S 82.56(12) . . ?
O21 Sb2 O1S 174.09(11) . . ?
N2 Sb2 O1S 112.69(10) . . ?
Sb2 O1 Sb1 117.52(11) . . ?
C27 O21 Sb2 117.79(19) . . ?
C21 O22 Sb2 121.62(19) . . ?
C21 O22 Sb1 113.55(19) . . ?
Sb2 O22 Sb1 85.05(8) . . ?
C118 N1 C16 116.7(2) . . ?
C118 N1 C112 116.7(3) . . ?
C16 N1 C112 111.4(2) . . ?
C118 N1 Sb1 105.89(18) . . ?
C16 N1 Sb1 101.96(18) . . ?
C112 N1 Sb1 101.44(17) . . ?
C218 N2 C212 117.9(2) . . ?
C218 N2 C26 115.9(2) . . ?
C212 N2 C26 111.5(2) . . ?
C218 N2 Sb2 108.99(17) . . ?
C212 N2 Sb2 98.64(17) . . ?
C26 N2 Sb2 100.91(17) . . ?
C14 C13 C12 120.3(4) . . ?
C13 C14 C15 120.5(4) . . ?
C14 C15 C16 119.4(4) . . ?
C15 C16 C11 120.5(3) . . ?
C15 C16 N1 122.9(3) . . ?
C11 C16 N1 116.6(3) . . ?
O12 C17 C18 118.9(3) . . ?
O12 C17 C112 122.1(3) . . ?
C18 C17 C112 119.0(3) . . ?
C19 C18 C17 120.2(3) . . ?
C110 C19 C18 120.9(3) . . ?
O22 C21 C26 121.7(3) . . ?
O22 C21 C22 119.4(3) . . ?
C26 C21 C22 118.9(3) . . ?
C23 C22 C21 119.8(4) . . ?
C22 C23 C24 121.3(4) . . ?
C25 C24 C23 119.2(4) . . ?
C24 C25 C26 120.3(4) . . ?
C21 C26 C25 120.4(3) . . ?
C21 C26 N2 117.3(3) . . ?
C25 C26 N2 122.2(3) . . ?
O21 C27 C28 120.5(3) . . ?
O21 C27 C212 120.3(3) . . ?
C28 C27 C212 119.2(3) . . ?
C29 C28 C27 120.1(3) . . ?
C210 C29 C28 120.4(3) . . ?
C19 C110 C111 119.9(3) . . ?
C110 C111 C112 119.9(3) . . ?
C111 C112 C17 120.1(3) . . ?
C111 C112 N1 122.1(3) . . ?
C17 C112 N1 117.8(3) . . ?
O13 C113 C114 122.4(3) . . ?
O13 C113 C118 118.4(3) . . ?
C114 C113 C118 119.2(3) . . ?
C115 C114 C113 121.0(4) . . ?
C116 C115 C114 119.6(4) . . ?
C115 C116 C117 120.5(4) . . ?
C116 C117 C118 120.7(4) . . ?
C117 C118 C113 119.0(3) . . ?
C117 C118 N1 122.6(3) . . ?
C113 C118 N1 118.2(3) . . ?
C29 C210 C211 119.9(3) . . ?
C210 C211 C212 119.8(3) . . ?
C211 C212 C27 120.4(3) . . ?
C211 C212 N2 124.0(3) . . ?
C27 C212 N2 115.6(3) . . ?
O23 C213 C214 122.5(3) . . ?
O23 C213 C218 117.8(3) . . ?
C214 C213 C218 119.7(3) . . ?
C215 C214 C213 120.1(3) . . ?
C214 C215 C216 120.8(3) . . ?
C215 C216 C217 119.3(3) . . ?
C216 C217 C218 121.2(3) . . ?
C217 C218 C213 118.9(3) . . ?
C217 C218 N2 122.7(3) . . ?
C213 C218 N2 118.3(3) . . ?
C4S O1S C1S 107.7(6) . . ?
C4S O1S Sb2 123.4(3) . . ?
C1S O1S Sb2 114.6(5) . . ?
O1S C1S C2S 97.2(8) . . ?
C3S C2S C1S 107.0(9) . . ?
C2S C3S C4S 96.5(8) . . ?
O1S C4S C3S 110.1(7) . . ?
C8S O2S C5S 104.9(4) . . ?
O2S C5S C6S 107.7(4) . . ?
C7S C6S C5S 105.7(5) . . ?
C8S C7S C6S 105.1(5) . . ?
O2S C8S C7S 111.1(5) . . ?
C12S O3S C9S 102(2) . . ?
O3S C9S C10S 112(3) . . ?
C11S C10S C9S 102(3) . . ?
C11 O11 Sb1 121.9(2) . . ?
O11 C11 C12 120.1(3) . . ?
O11 C11 C16 121.1(3) . . ?
C12 C11 C16 118.9(3) . . ?
C10S C11S C12S 107(3) . . ?
C17 O12 Sb1 123.40(19) . . ?
C11 C12 C13 120.4(4) . . ?
O3S C12S C11S 111(3) . . ?
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 O12 1.980(2) . ?
Sb1 O1 1.992(2) . ?
Sb1 O11 2.015(2) . ?
Sb1 N1 2.601(2) . ?
Sb1 O22 2.912(2) . ?
Sb2 O1 1.976(2) . ?
Sb2 O22 2.011(2) . ?
Sb2 O21 2.013(2) . ?
Sb2 N2 2.619(2) . ?
Sb2 O1S 2.804(4) . ?
O13 C113 1.357(4) . ?
O21 C27 1.367(4) . ?
O22 C21 1.354(4) . ?
O23 C213 1.360(4) . ?
N1 C118 1.442(4) . ?
N1 C16 1.446(4) . ?
N1 C112 1.458(4) . ?
N2 C218 1.450(4) . ?
N2 C212 1.451(4) . ?
N2 C26 1.455(4) . ?
C13 C14 1.357(6) . ?
C13 C12 1.395(5) . ?
C14 C15 1.385(6) . ?
C15 C16 1.391(4) . ?
C16 C11 1.391(5) . ?
C17 O12 1.350(4) . ?
C17 C18 1.387(4) . ?
C17 C112 1.391(4) . ?
C18 C19 1.371(5) . ?
C19 C110 1.371(5) . ?
C21 C26 1.383(4) . ?
C21 C22 1.398(5) . ?
C22 C23 1.374(6) . ?
C23 C24 1.378(6) . ?
C24 C25 1.377(5) . ?
C25 C26 1.389(5) . ?
C27 C28 1.386(4) . ?
C27 C212 1.389(4) . ?
C28 C29 1.380(5) . ?
C29 C210 1.379(5) . ?
C110 C111 1.378(5) . ?
C111 C112 1.390(4) . ?
C113 C114 1.383(5) . ?
C113 C118 1.400(4) . ?
C114 C115 1.382(6) . ?
C115 C116 1.364(6) . ?
C116 C117 1.378(5) . ?
C117 C118 1.386(5) . ?
C210 C211 1.381(5) . ?
C211 C212 1.382(4) . ?
C213 C214 1.388(4) . ?
C213 C218 1.404(4) . ?
C214 C215 1.374(5) . ?
C215 C216 1.382(5) . ?
C216 C217 1.382(5) . ?
C217 C218 1.383(4) . ?
O1S C4S 1.386(6) . ?
O1S C1S 1.391(8) . ?
C1S C2S 1.483(11) . ?
C2S C3S 1.401(13) . ?
C3S C4S 1.462(10) . ?
O2S C8S 1.387(6) . ?
O2S C5S 1.396(5) . ?
C5S C6S 1.470(7) . ?
C6S C7S 1.439(8) . ?
C7S C8S 1.416(7) . ?
O3S C12S 1.406(15) . ?
O3S C9S 1.409(15) . ?
C9S C10S 1.462(16) . ?
C10S C11S 1.416(18) . ?
O11 C11 1.360(4) . ?
C11 C12 1.380(5) . ?
C11S C12S 1.450(16) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O13 H13A O2S 0.83 1.91 2.742(4) 177.2 .
O23 H23A O1 0.83 1.81 2.634(3) 169.3 2_665
