#------------------------------------------------------------------------------
#$Date: 2021-06-17 06:58:46 +0300 (Thu, 17 Jun 2021) $
#$Revision: 266522 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/81/7158128.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_7158128
loop_
_publ_author_name
'Li, Wei'
'Li, Shan'
'Wang, Zixiu'
'Liu, Chenfu'
'Ye, Yifei'
'Chen, Yujing'
'Xiong, Yuyan'
'lei, jian'
_publ_section_title
;
 Direct Sb--S cross-coupling of halostibines with thiols and disulfides at
 room temperature
;
_journal_name_full               'Organic & Biomolecular Chemistry'
_journal_paper_doi               10.1039/D1OB00959A
_journal_year                    2021
_chemical_formula_moiety         'C26 H28 N S Sb'
_chemical_formula_sum            'C26 H28 N S Sb'
_chemical_formula_weight         508.30
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-01-28
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.09.11 svn.r3730fd0d for OlexSys, GUI svn.r6159)
;
_audit_update_record
;
2021-01-31 deposited with the CCDC.	2021-06-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.451(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7657(6)
_cell_length_b                   19.2142(13)
_cell_length_c                   13.3556(9)
_cell_measurement_reflns_used    3416
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      28.0860
_cell_measurement_theta_min      2.6220
_cell_volume                     2204.7(3)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -11.00  21.00   1.00    5.60    --   11.90  38.00 120.00   32
  2  ω     57.00  84.00   1.00    5.60    --   11.90  38.00 120.00   27
  3  ω    -13.00  30.00   1.00    5.60    --  -11.27 -99.00  30.00   43
  4  ω    -61.00  44.00   1.00    5.60    --   11.90 -77.00-180.00  105
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0147471000
_diffrn_orient_matrix_UB_12      -0.0204360000
_diffrn_orient_matrix_UB_13      0.0450546000
_diffrn_orient_matrix_UB_21      0.0250495000
_diffrn_orient_matrix_UB_22      0.0302082000
_diffrn_orient_matrix_UB_23      0.0292231000
_diffrn_orient_matrix_UB_31      -0.0772975000
_diffrn_orient_matrix_UB_32      0.0059292000
_diffrn_orient_matrix_UB_33      0.0066320000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_unetI/netI     0.0783
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9478
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.991
_diffrn_reflns_theta_max         24.991
_diffrn_reflns_theta_min         1.882
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.359
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.51991
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.097
_refine_diff_density_min         -0.887
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3884
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0577
_refine_ls_R_factor_gt           0.0435
_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)+(0.0304P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0859
_refine_ls_wR_factor_ref         0.0939
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3135
_reflns_number_total             3884
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ob00959a2.cif
_cod_data_source_block           xray4
_cod_database_code               7158128
_shelx_shelxl_version_number     2018/3
_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.
;
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C1) \\sim Ueq: with sigma of 0.002 and sigma for terminal atoms of 0.004
3.a Ternary CH refined with riding coordinates:
 C8(H8)
3.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C9(H9A,H9B), C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B),
 C13(H13A,H13B), C14(H14A,H14B)
3.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C16(H16), C17(H17), C18(H18), C19(H19),
 C22(H22), C23(H23), C24(H24), C25(H25), C26(H26)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.567
_oxdiff_exptl_absorpt_empirical_full_min 0.602
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sb1 Sb 0.61024(3) 0.63314(2) 0.51291(2) 0.01421(12) Uani 1 1 d . . . . .
S1 S 0.53290(13) 0.59864(7) 0.32636(9) 0.0215(3) Uani 1 1 d . . . . .
N1 N 0.6244(4) 0.69684(19) 0.6776(3) 0.0131(8) Uani 1 1 d . . . . .
C1 C 0.6615(5) 0.7394(2) 0.4815(3) 0.0134(10) Uani 1 1 d . U . . .
C2 C 0.6419(5) 0.7682(3) 0.3836(4) 0.0202(11) Uani 1 1 d . . . . .
H2 H 0.607141 0.740373 0.326716 0.024 Uiso 1 1 calc R U . . .
C3 C 0.6740(5) 0.8381(3) 0.3707(4) 0.0265(12) Uani 1 1 d . . . . .
H3 H 0.660544 0.856751 0.305274 0.032 Uiso 1 1 calc R U . . .
C4 C 0.7260(6) 0.8800(3) 0.4548(4) 0.0284(13) Uani 1 1 d . . . . .
H4 H 0.745346 0.927014 0.445989 0.034 Uiso 1 1 calc R U . . .
C5 C 0.7493(5) 0.8518(3) 0.5525(4) 0.0238(12) Uani 1 1 d . . . . .
H5 H 0.786994 0.879563 0.609015 0.029 Uiso 1 1 calc R U . . .
C6 C 0.7159(5) 0.7816(3) 0.5656(3) 0.0175(11) Uani 1 1 d . . . . .
C7 C 0.7440(5) 0.7505(2) 0.6710(3) 0.0182(11) Uani 1 1 d . . . . .
H7A H 0.846737 0.729639 0.686494 0.022 Uiso 1 1 calc R U . . .
H7B H 0.739882 0.786856 0.720898 0.022 Uiso 1 1 calc R U . . .
C8 C 0.6733(5) 0.6484(2) 0.7644(3) 0.0148(10) Uani 1 1 d . . . . .
H8 H 0.765783 0.624024 0.751766 0.018 Uiso 1 1 calc R U . . .
C9 C 0.7206(5) 0.6841(2) 0.8680(3) 0.0185(11) Uani 1 1 d . . . . .
H9A H 0.803855 0.716940 0.865583 0.022 Uiso 1 1 calc R U . . .
H9B H 0.632640 0.709889 0.883033 0.022 Uiso 1 1 calc R U . . .
C10 C 0.7745(5) 0.6316(2) 0.9518(3) 0.0203(11) Uani 1 1 d . . . . .
H10A H 0.801356 0.655520 1.016916 0.024 Uiso 1 1 calc R U . . .
H10B H 0.867158 0.608280 0.939478 0.024 Uiso 1 1 calc R U . . .
C11 C 0.6488(5) 0.5778(3) 0.9569(3) 0.0234(12) Uani 1 1 d . . . . .
H11A H 0.687167 0.543897 1.009716 0.028 Uiso 1 1 calc R U . . .
H11B H 0.558266 0.600403 0.973755 0.028 Uiso 1 1 calc R U . . .
C12 C 0.6038(6) 0.5414(3) 0.8543(3) 0.0232(12) Uani 1 1 d . . . . .
H12A H 0.520828 0.508506 0.856920 0.028 Uiso 1 1 calc R U . . .
H12B H 0.692600 0.515588 0.840739 0.028 Uiso 1 1 calc R U . . .
C13 C 0.5503(5) 0.5929(2) 0.7682(3) 0.0177(11) Uani 1 1 d . . . . .
H13A H 0.454796 0.615084 0.777737 0.021 Uiso 1 1 calc R U . . .
H13B H 0.528286 0.568135 0.703595 0.021 Uiso 1 1 calc R U . . .
C14 C 0.4700(5) 0.7308(2) 0.6743(3) 0.0149(10) Uani 1 1 d . . . . .
H14A H 0.477380 0.779636 0.657724 0.018 Uiso 1 1 calc R U . . .
H14B H 0.443599 0.727798 0.741358 0.018 Uiso 1 1 calc R U . . .
C15 C 0.3417(5) 0.6974(2) 0.5966(3) 0.0150(10) Uani 1 1 d . . . . .
C16 C 0.1885(5) 0.7152(3) 0.6008(3) 0.0192(11) Uani 1 1 d . . . . .
H16 H 0.168788 0.743816 0.652907 0.023 Uiso 1 1 calc R U . . .
C17 C 0.0659(5) 0.6903(3) 0.5277(3) 0.0231(12) Uani 1 1 d . . . . .
H17 H -0.035710 0.703254 0.529626 0.028 Uiso 1 1 calc R U . . .
C18 C 0.0951(5) 0.6464(3) 0.4523(3) 0.0199(11) Uani 1 1 d . . . . .
H18 H 0.012952 0.628872 0.403908 0.024 Uiso 1 1 calc R U . . .
C19 C 0.2460(5) 0.6282(2) 0.4486(3) 0.0152(10) Uani 1 1 d . . . . .
H19 H 0.264660 0.597985 0.398039 0.018 Uiso 1 1 calc R U . . .
C20 C 0.3709(5) 0.6546(2) 0.5195(3) 0.0145(10) Uani 1 1 d . . . . .
C21 C 0.7146(5) 0.5633(2) 0.3080(3) 0.0175(11) Uani 1 1 d . . . . .
C22 C 0.7886(5) 0.5106(2) 0.3686(4) 0.0223(11) Uani 1 1 d . . . . .
H22 H 0.745710 0.493433 0.421954 0.027 Uiso 1 1 calc R U . . .
C23 C 0.9266(6) 0.4829(3) 0.3506(4) 0.0268(12) Uani 1 1 d . . . . .
H23 H 0.976008 0.447341 0.391978 0.032 Uiso 1 1 calc R U . . .
C24 C 0.9910(6) 0.5082(3) 0.2711(4) 0.0290(13) Uani 1 1 d . . . . .
H24 H 1.084665 0.490362 0.259578 0.035 Uiso 1 1 calc R U . . .
C25 C 0.9152(6) 0.5597(3) 0.2095(4) 0.0265(12) Uani 1 1 d . . . . .
H25 H 0.955944 0.575792 0.154580 0.032 Uiso 1 1 calc R U . . .
C26 C 0.7791(5) 0.5877(3) 0.2283(3) 0.0227(11) Uani 1 1 d . . . . .
H26 H 0.730097 0.623446 0.187052 0.027 Uiso 1 1 calc R U . . .
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'
S S 0.1246 0.1234 '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
N1 Sb1 S1 161.70(9) . . ?
C1 Sb1 S1 94.72(12) . . ?
C1 Sb1 N1 74.37(14) . . ?
C1 Sb1 C20 93.95(16) . . ?
C20 Sb1 S1 91.01(12) . . ?
C20 Sb1 N1 75.47(14) . . ?
C21 S1 Sb1 99.31(14) . . ?
C7 N1 Sb1 101.6(2) . . ?
C7 N1 C14 109.9(3) . . ?
C8 N1 Sb1 109.7(3) . . ?
C8 N1 C7 112.6(3) . . ?
C8 N1 C14 114.6(3) . . ?
C14 N1 Sb1 107.5(2) . . ?
C2 C1 Sb1 124.5(3) . . ?
C6 C1 Sb1 116.6(3) . . ?
C6 C1 C2 118.9(4) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.5(5) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.3(5) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.1 . . ?
C3 C4 C5 119.8(5) . . ?
C5 C4 H4 120.1 . . ?
C4 C5 H5 120.0 . . ?
C4 C5 C6 119.9(5) . . ?
C6 C5 H5 120.0 . . ?
C1 C6 C5 120.5(4) . . ?
C1 C6 C7 119.5(4) . . ?
C5 C6 C7 120.0(4) . . ?
N1 C7 C6 110.1(4) . . ?
N1 C7 H7A 109.6 . . ?
N1 C7 H7B 109.6 . . ?
C6 C7 H7A 109.6 . . ?
C6 C7 H7B 109.6 . . ?
H7A C7 H7B 108.1 . . ?
N1 C8 H8 106.6 . . ?
N1 C8 C9 114.3(4) . . ?
N1 C8 C13 111.6(4) . . ?
C9 C8 H8 106.6 . . ?
C13 C8 H8 106.6 . . ?
C13 C8 C9 110.6(4) . . ?
C8 C9 H9A 109.4 . . ?
C8 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 C8 111.1(4) . . ?
C10 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C9 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C9 C10 C11 111.3(4) . . ?
H10A C10 H10B 108.0 . . ?
C11 C10 H10A 109.4 . . ?
C11 C10 H10B 109.4 . . ?
C10 C11 H11A 109.8 . . ?
C10 C11 H11B 109.8 . . ?
H11A C11 H11B 108.2 . . ?
C12 C11 C10 109.5(4) . . ?
C12 C11 H11A 109.8 . . ?
C12 C11 H11B 109.8 . . ?
C11 C12 H12A 109.3 . . ?
C11 C12 H12B 109.3 . . ?
C11 C12 C13 111.7(4) . . ?
H12A C12 H12B 107.9 . . ?
C13 C12 H12A 109.3 . . ?
C13 C12 H12B 109.3 . . ?
C8 C13 H13A 109.3 . . ?
C8 C13 H13B 109.3 . . ?
C12 C13 C8 111.5(4) . . ?
C12 C13 H13A 109.3 . . ?
C12 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
N1 C14 H14A 109.1 . . ?
N1 C14 H14B 109.1 . . ?
N1 C14 C15 112.4(4) . . ?
H14A C14 H14B 107.9 . . ?
C15 C14 H14A 109.1 . . ?
C15 C14 H14B 109.1 . . ?
C16 C15 C14 117.3(4) . . ?
C20 C15 C14 122.8(4) . . ?
C20 C15 C16 119.8(4) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 C15 120.3(4) . . ?
C17 C16 H16 119.8 . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.7(4) . . ?
C18 C17 H17 120.1 . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.0(4) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 119.5 . . ?
C18 C19 C20 120.9(4) . . ?
C20 C19 H19 119.5 . . ?
C15 C20 Sb1 118.0(3) . . ?
C15 C20 C19 119.1(4) . . ?
C19 C20 Sb1 122.9(3) . . ?
C22 C21 S1 121.8(4) . . ?
C22 C21 C26 119.0(4) . . ?
C26 C21 S1 119.2(4) . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.5(4) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.1(5) . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.3 . . ?
C25 C24 C23 119.3(4) . . ?
C25 C24 H24 120.3 . . ?
C24 C25 H25 119.8 . . ?
C24 C25 C26 120.5(5) . . ?
C26 C25 H25 119.8 . . ?
C21 C26 H26 119.7 . . ?
C25 C26 C21 120.6(5) . . ?
C25 C26 H26 119.7 . . ?
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 S1 2.5369(12) . ?
Sb1 N1 2.499(3) . ?
Sb1 C1 2.150(5) . ?
Sb1 C20 2.157(4) . ?
S1 C21 1.792(4) . ?
N1 C7 1.486(5) . ?
N1 C8 1.482(5) . ?
N1 C14 1.495(5) . ?
C1 C2 1.398(6) . ?
C1 C6 1.390(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.390(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.384(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.390(7) . ?
C5 H5 0.9300 . ?
C5 C6 1.399(7) . ?
C6 C7 1.504(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8 0.9800 . ?
C8 C9 1.527(6) . ?
C8 C13 1.524(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 C10 1.511(6) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.522(6) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C12 1.518(6) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C13 1.519(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C15 1.512(6) . ?
C15 C16 1.397(6) . ?
C15 C20 1.382(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.386(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.377(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.378(6) . ?
C19 H19 0.9300 . ?
C19 C20 1.393(6) . ?
C21 C22 1.376(7) . ?
C21 C26 1.383(6) . ?
C22 H22 0.9300 . ?
C22 C23 1.385(6) . ?
C23 H23 0.9300 . ?
C23 C24 1.386(7) . ?
C24 H24 0.9300 . ?
C24 C25 1.372(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.377(6) . ?
C26 H26 0.9300 . ?
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
Sb1 S1 C21 C22 55.7(4) . . . . ?
Sb1 S1 C21 C26 -127.0(3) . . . . ?
Sb1 N1 C7 C6 43.3(4) . . . . ?
Sb1 N1 C8 C9 167.1(3) . . . . ?
Sb1 N1 C8 C13 -66.4(4) . . . . ?
Sb1 N1 C14 C15 20.4(4) . . . . ?
Sb1 C1 C2 C3 178.2(3) . . . . ?
Sb1 C1 C6 C5 -178.7(3) . . . . ?
Sb1 C1 C6 C7 3.4(5) . . . . ?
S1 C21 C22 C23 178.0(4) . . . . ?
S1 C21 C26 C25 -177.3(4) . . . . ?
N1 C8 C9 C10 -177.9(3) . . . . ?
N1 C8 C13 C12 177.4(3) . . . . ?
N1 C14 C15 C16 167.5(4) . . . . ?
N1 C14 C15 C20 -16.7(6) . . . . ?
C1 C2 C3 C4 0.1(7) . . . . ?
C1 C6 C7 N1 -36.3(5) . . . . ?
C2 C1 C6 C5 0.5(6) . . . . ?
C2 C1 C6 C7 -177.4(4) . . . . ?
C2 C3 C4 C5 1.3(7) . . . . ?
C3 C4 C5 C6 -1.8(7) . . . . ?
C4 C5 C6 C1 0.9(7) . . . . ?
C4 C5 C6 C7 178.8(4) . . . . ?
C5 C6 C7 N1 145.8(4) . . . . ?
C6 C1 C2 C3 -1.0(6) . . . . ?
C7 N1 C8 C9 54.8(5) . . . . ?
C7 N1 C8 C13 -178.7(4) . . . . ?
C7 N1 C14 C15 130.2(4) . . . . ?
C8 N1 C7 C6 160.6(4) . . . . ?
C8 N1 C14 C15 -101.8(4) . . . . ?
C8 C9 C10 C11 -57.6(5) . . . . ?
C9 C8 C13 C12 -54.1(5) . . . . ?
C9 C10 C11 C12 57.7(5) . . . . ?
C10 C11 C12 C13 -56.7(5) . . . . ?
C11 C12 C13 C8 55.8(5) . . . . ?
C13 C8 C9 C10 55.2(5) . . . . ?
C14 N1 C7 C6 -70.4(4) . . . . ?
C14 N1 C8 C9 -71.8(5) . . . . ?
C14 N1 C8 C13 54.6(5) . . . . ?
C14 C15 C16 C17 175.6(4) . . . . ?
C14 C15 C20 Sb1 1.4(6) . . . . ?
C14 C15 C20 C19 -177.5(4) . . . . ?
C15 C16 C17 C18 1.8(7) . . . . ?
C16 C15 C20 Sb1 177.1(3) . . . . ?
C16 C15 C20 C19 -1.8(7) . . . . ?
C16 C17 C18 C19 -1.2(7) . . . . ?
C17 C18 C19 C20 -0.9(7) . . . . ?
C18 C19 C20 Sb1 -176.4(3) . . . . ?
C18 C19 C20 C15 2.4(7) . . . . ?
C20 C15 C16 C17 -0.3(7) . . . . ?
C21 C22 C23 C24 -0.1(8) . . . . ?
C22 C21 C26 C25 0.2(7) . . . . ?
C22 C23 C24 C25 -1.3(8) . . . . ?
C23 C24 C25 C26 2.1(8) . . . . ?
C24 C25 C26 C21 -1.6(8) . . . . ?
C26 C21 C22 C23 0.7(7) . . . . ?
