#------------------------------------------------------------------------------
#$Date: 2015-08-31 09:42:27 +0200 (lun 31 de ago de 2015) $
#$Revision: 153814 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/76/7117693.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_7117693
loop_
_publ_author_name
'C. Hering-Junghans'
'A. Schulz'
'A. Villinger'
_publ_section_title
;
 A neutral low-coordinate heterocyclic bismuth-in species
;
_journal_name_full               Chem.Commun.
_journal_page_first              13834
_journal_paper_doi               10.1039/C5cc04516A
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C72 H66 Cl2 N2 Sb2'
_chemical_formula_sum            'C72 H66 Cl2 N2 Sb2'
_chemical_formula_weight         1273.66
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-05-31 deposited with the CCDC.
2015-07-23 downloaded from the CCDC.
;
_cell_angle_alpha                98.6080(10)
_cell_angle_beta                 105.2850(10)
_cell_angle_gamma                100.2050(10)
_cell_formula_units_Z            1
_cell_length_a                   10.5945(2)
_cell_length_b                   12.3644(3)
_cell_length_c                   12.5871(3)
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      30.87
_cell_measurement_theta_min      2.66
_cell_volume                     1531.50(6)
_computing_cell_refinement       'Bruker Apex V7.51A'
_computing_data_collection       'Bruker Apex V7.51A'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'ORTEP-3v2.01 (Farrugia, 1997)'
_computing_publication_material  SHELXL-2013
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Nonius Apex X8 CCD-diffractometer'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_av_unetI/netI     0.0615
_diffrn_reflns_laue_measured_fraction_full 0.984
_diffrn_reflns_laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            51581
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.498
_diffrn_reflns_theta_min         2.661
_exptl_absorpt_coefficient_mu    1.012
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.7046
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.381
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.694
_refine_diff_density_min         -1.012
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         10958
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0036P)²+1.5923P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0608
_refine_ls_wR_factor_ref         0.0686
_reflns_Friedel_coverage         0.000
_reflns_friedel_fraction_full    .
_reflns_friedel_fraction_max     .
_reflns_number_gt                8978
_reflns_number_total             10958
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5cc04516a2.cif
_cod_data_source_block           ch046_2_[ClSb(NtBuAr)]2
_cod_database_code               7117693
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.855
_shelx_estimated_absorpt_t_max   0.970
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_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_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 -0.13679(2) 0.95149(2) 0.52358(2) 0.01754(4) Uani 1 1 d . . . . .
C14 C 0.2247(2) 0.72544(16) 0.68542(17) 0.0165(4) Uani 1 1 d . . . . .
C24 C 0.1842(2) 1.20431(16) 0.76083(18) 0.0168(4) Uani 1 1 d . . . . .
H24 H 0.1012 1.1991 0.7009 0.020 Uiso 1 1 calc R U . . .
C2 C 0.1363(2) 0.89006(16) 0.74587(17) 0.0151(4) Uani 1 1 d . . . . .
C7 C 0.1051(2) 0.78070(16) 0.66067(18) 0.0164(4) Uani 1 1 d . . . . .
H7 H 0.0950 0.8000 0.5866 0.020 Uiso 1 1 calc R U . . .
N1 N 0.06506(18) 0.99551(14) 0.59909(14) 0.0146(3) Uani 1 1 d . . . . .
C3 C 0.1815(2) 0.88838(17) 0.86080(18) 0.0177(4) Uani 1 1 d . . . . .
H3 H 0.1903 0.8203 0.8815 0.021 Uiso 1 1 calc R U . . .
C25 C 0.2986(2) 1.22044(17) 0.70702(18) 0.0185(4) Uani 1 1 d . . . . .
C8 C -0.0244(2) 0.69884(17) 0.65289(19) 0.0192(4) Uani 1 1 d . . . . .
C4 C 0.2133(2) 0.98336(17) 0.94451(18) 0.0176(4) Uani 1 1 d . . . . .
C15 C 0.3369(2) 0.76406(19) 0.65234(19) 0.0223(5) Uani 1 1 d . . . . .
H15 H 0.3379 0.8229 0.6142 0.027 Uiso 1 1 calc R U . . .
C6 C 0.1697(2) 1.09258(17) 0.79800(17) 0.0152(4) Uani 1 1 d . . . . .
C1 C 0.1241(2) 0.99254(16) 0.71438(17) 0.0140(4) Uani 1 1 d . . . . .
C32 C 0.3183(3) 1.35504(18) 0.9359(2) 0.0248(5) Uani 1 1 d . . . . .
H32 H 0.3914 1.3218 0.9417 0.030 Uiso 1 1 calc R U . . .
C20 C 0.2561(2) 0.97837(19) 1.06953(18) 0.0221(5) Uani 1 1 d . . . . .
C31 C 0.1989(2) 1.30736(17) 0.84988(19) 0.0197(5) Uani 1 1 d . . . . .
C19 C 0.2274(2) 0.63832(18) 0.7438(2) 0.0234(5) Uani 1 1 d . . . . .
H19 H 0.1537 0.6113 0.7670 0.028 Uiso 1 1 calc R U . . .
C5 C 0.2103(2) 1.08572(17) 0.91051(18) 0.0184(4) Uani 1 1 d . . . . .
H5 H 0.2363 1.1515 0.9652 0.022 Uiso 1 1 calc R U . . .
C36 C 0.0923(3) 1.3598(2) 0.8426(2) 0.0271(5) Uani 1 1 d . . . . .
H36 H 0.0117 1.3291 0.7859 0.033 Uiso 1 1 calc R U . . .
C27 C 0.4870(3) 1.1661(2) 0.6568(2) 0.0340(6) Uani 1 1 d . . . . .
H27 H 0.5468 1.1190 0.6606 0.041 Uiso 1 1 calc R U . . .
C16 C 0.4476(3) 0.7160(2) 0.6754(2) 0.0281(5) Uani 1 1 d . . . . .
H16 H 0.5214 0.7423 0.6518 0.034 Uiso 1 1 calc R U . . .
C26 C 0.3894(2) 1.1518(2) 0.7123(2) 0.0247(5) Uani 1 1 d . . . . .
H26 H 0.3851 1.0955 0.7535 0.030 Uiso 1 1 calc R U . . .
C35 C 0.1043(3) 1.4576(2) 0.9186(3) 0.0380(7) Uani 1 1 d . . . . .
H35 H 0.0325 1.4925 0.9119 0.046 Uiso 1 1 calc R U . . .
C17 C 0.4483(3) 0.6297(2) 0.7330(2) 0.0304(6) Uani 1 1 d . . . . .
H17 H 0.5223 0.5974 0.7484 0.036 Uiso 1 1 calc R U . . .
C13 C -0.0888(3) 0.7061(2) 0.7350(2) 0.0297(6) Uani 1 1 d . . . . .
H13 H -0.0587 0.7681 0.7944 0.036 Uiso 1 1 calc R U . . .
C30 C 0.3091(3) 1.3048(2) 0.6456(2) 0.0294(6) Uani 1 1 d . . . . .
H30 H 0.2495 1.3521 0.6413 0.035 Uiso 1 1 calc R U . . .
C10 C -0.1836(3) 0.5235(2) 0.5582(3) 0.0436(8) Uani 1 1 d . . . . .
H10 H -0.2158 0.4624 0.4978 0.052 Uiso 1 1 calc R U . . .
C12 C -0.1978(3) 0.6224(3) 0.7302(3) 0.0427(7) Uani 1 1 d . . . . .
H12 H -0.2392 0.6283 0.7868 0.051 Uiso 1 1 calc R U . . .
C9 C -0.0749(3) 0.6066(2) 0.5634(2) 0.0309(6) Uani 1 1 d . . . . .
H9 H -0.0346 0.6009 0.5061 0.037 Uiso 1 1 calc R U . . .
C33 C 0.3291(3) 1.4516(2) 1.0129(2) 0.0328(6) Uani 1 1 d . . . . .
H33 H 0.4087 1.4818 1.0707 0.039 Uiso 1 1 calc R U . . .
C34 C 0.2226(3) 1.5030(2) 1.0042(2) 0.0393(7) Uani 1 1 d . . . . .
H34 H 0.2304 1.5680 1.0558 0.047 Uiso 1 1 calc R U . . .
C18 C 0.3383(3) 0.5913(2) 0.7677(2) 0.0305(6) Uani 1 1 d . . . . .
H18 H 0.3387 0.5336 0.8073 0.037 Uiso 1 1 calc R U . . .
C28 C 0.4948(3) 1.2497(2) 0.5963(2) 0.0358(6) Uani 1 1 d . . . . .
H28 H 0.5598 1.2591 0.5590 0.043 Uiso 1 1 calc R U . . .
C22 C 0.1909(3) 1.0548(3) 1.1353(2) 0.0430(8) Uani 1 1 d . . . . .
H22A H 0.0950 1.0315 1.1049 0.064 Uiso 1 1 calc R U . . .
H22B H 0.2199 1.1310 1.1290 0.064 Uiso 1 1 calc R U . . .
H22C H 0.2172 1.0496 1.2131 0.064 Uiso 1 1 calc R U . . .
C21 C 0.4088(3) 1.0203(3) 1.1171(2) 0.0407(7) Uani 1 1 d . . . . .
H21A H 0.4361 1.0202 1.1961 0.061 Uiso 1 1 calc R U . . .
H21B H 0.4344 1.0952 1.1060 0.061 Uiso 1 1 calc R U . . .
H21C H 0.4516 0.9717 1.0790 0.061 Uiso 1 1 calc R U . . .
C29 C 0.4064(3) 1.3195(2) 0.5909(2) 0.0374(7) Uani 1 1 d . . . . .
H29 H 0.4121 1.3764 0.5506 0.045 Uiso 1 1 calc R U . . .
C11 C -0.2446(3) 0.5312(2) 0.6424(3) 0.0476(8) Uani 1 1 d . . . . .
H11 H -0.3170 0.4748 0.6397 0.057 Uiso 1 1 calc R U . . .
C23 C 0.2163(4) 0.8600(2) 1.0880(2) 0.0593(11) Uani 1 1 d . . . . .
H23A H 0.1214 0.8313 1.0534 0.089 Uiso 1 1 calc R U . . .
H23B H 0.2378 0.8614 1.1673 0.089 Uiso 1 1 calc R U . . .
H23C H 0.2644 0.8126 1.0550 0.089 Uiso 1 1 calc R U . . .
Cl1 Cl -0.18900(7) 1.12564(6) 0.59833(5) 0.03226(14) Uani 1 1 d . . . . .
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'
Cl Cl 0.1484 0.1585 '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
N1 Sb1 N1 77.36(7) . 2_576
N1 Sb1 Cl1 97.60(5) . .
N1 Sb1 Cl1 98.09(5) 2_576 .
N1 Sb1 Sb1 38.68(5) . 2_576
N1 Sb1 Sb1 38.67(5) 2_576 2_576
Cl1 Sb1 Sb1 100.064(18) . 2_576
C1 N1 Sb1 122.53(13) . .
C1 N1 Sb1 134.66(14) . 2_576
Sb1 N1 Sb1 102.64(7) . 2_576
C2 C1 C6 119.23(18) . .
C2 C1 N1 120.18(18) . .
C6 C1 N1 120.58(17) . .
C1 C2 C3 118.77(19) . .
C1 C2 C7 122.72(18) . .
C3 C2 C7 118.50(18) . .
C4 C3 C2 122.84(19) . .
C4 C3 H3 118.6 . .
C2 C3 H3 118.6 . .
C3 C4 C5 117.07(19) . .
C3 C4 C20 121.82(19) . .
C5 C4 C20 121.06(19) . .
C6 C5 C4 122.3(2) . .
C6 C5 H5 118.8 . .
C4 C5 H5 118.8 . .
C5 C6 C1 119.21(18) . .
C5 C6 C24 122.09(19) . .
C1 C6 C24 118.47(18) . .
C2 C7 C8 114.46(18) . .
C2 C7 C14 109.49(17) . .
C8 C7 C14 111.00(16) . .
C2 C7 H7 107.2 . .
C8 C7 H7 107.2 . .
C14 C7 H7 107.2 . .
C13 C8 C9 117.8(2) . .
C13 C8 C7 123.4(2) . .
C9 C8 C7 118.6(2) . .
C10 C9 C8 121.2(3) . .
C10 C9 H9 119.4 . .
C8 C9 H9 119.4 . .
C11 C10 C9 120.0(3) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C12 C11 C10 119.6(3) . .
C12 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
C11 C12 C13 120.2(3) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C8 C13 C12 121.1(2) . .
C8 C13 H13 119.4 . .
C12 C13 H13 119.4 . .
C15 C14 C19 118.0(2) . .
C15 C14 C7 120.05(18) . .
C19 C14 C7 121.9(2) . .
C16 C15 C14 121.0(2) . .
C16 C15 H15 119.5 . .
C14 C15 H15 119.5 . .
C17 C16 C15 120.1(2) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 119.5(2) . .
C16 C17 H17 120.2 . .
C18 C17 H17 120.2 . .
C17 C18 C19 120.4(2) . .
C17 C18 H18 119.8 . .
C19 C18 H18 119.8 . .
C18 C19 C14 120.9(2) . .
C18 C19 H19 119.5 . .
C14 C19 H19 119.5 . .
C23 C20 C21 109.2(2) . .
C23 C20 C4 112.0(2) . .
C21 C20 C4 108.92(19) . .
C23 C20 C22 108.1(2) . .
C21 C20 C22 108.2(2) . .
C4 C20 C22 110.43(19) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C6 C24 C31 116.15(17) . .
C6 C24 C25 110.24(17) . .
C31 C24 C25 110.82(17) . .
C6 C24 H24 106.3 . .
C31 C24 H24 106.3 . .
C25 C24 H24 106.3 . .
C26 C25 C30 117.9(2) . .
C26 C25 C24 123.13(19) . .
C30 C25 C24 118.9(2) . .
C25 C26 C27 120.9(2) . .
C25 C26 H26 119.5 . .
C27 C26 H26 119.5 . .
C28 C27 C26 120.0(3) . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
C29 C28 C27 119.9(2) . .
C29 C28 H28 120.0 . .
C27 C28 H28 120.0 . .
C28 C29 C30 120.0(2) . .
C28 C29 H29 120.0 . .
C30 C29 H29 120.0 . .
C29 C30 C25 121.2(2) . .
C29 C30 H30 119.4 . .
C25 C30 H30 119.4 . .
C36 C31 C32 118.3(2) . .
C36 C31 C24 119.2(2) . .
C32 C31 C24 122.4(2) . .
C33 C32 C31 120.6(2) . .
C33 C32 H32 119.7 . .
C31 C32 H32 119.7 . .
C34 C33 C32 120.5(3) . .
C34 C33 H33 119.8 . .
C32 C33 H33 119.8 . .
C33 C34 C35 119.6(2) . .
C33 C34 H34 120.2 . .
C35 C34 H34 120.2 . .
C34 C35 C36 120.1(3) . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C31 C36 C35 121.0(3) . .
C31 C36 H36 119.5 . .
C35 C36 H36 119.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sb1 N1 2.0332(18) .
Sb1 N1 2.0337(16) 2_576
Sb1 Cl1 2.4327(7) .
Sb1 Sb1 3.1749(3) 2_576
N1 C1 1.430(3) .
N1 Sb1 2.0337(16) 2_576
C1 C2 1.400(3) .
C1 C6 1.415(3) .
C2 C3 1.403(3) .
C2 C7 1.519(3) .
C3 C4 1.380(3) .
C3 H3 0.9300 .
C4 C5 1.398(3) .
C4 C20 1.532(3) .
C5 C6 1.388(3) .
C5 H5 0.9300 .
C6 C24 1.519(3) .
C7 C8 1.525(3) .
C7 C14 1.527(3) .
C7 H7 0.9800 .
C8 C13 1.381(3) .
C8 C9 1.392(3) .
C9 C10 1.382(4) .
C9 H9 0.9300 .
C10 C11 1.380(4) .
C10 H10 0.9300 .
C11 C12 1.371(4) .
C11 H11 0.9300 .
C12 C13 1.389(3) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 C15 1.390(3) .
C14 C19 1.392(3) .
C15 C16 1.390(3) .
C15 H15 0.9300 .
C16 C17 1.378(3) .
C16 H16 0.9300 .
C17 C18 1.382(4) .
C17 H17 0.9300 .
C18 C19 1.384(3) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 C23 1.519(3) .
C20 C21 1.531(4) .
C20 C22 1.533(4) .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 C31 1.521(3) .
C24 C25 1.535(3) .
C24 H24 0.9800 .
C25 C26 1.386(3) .
C25 C30 1.394(3) .
C26 C27 1.393(3) .
C26 H26 0.9300 .
C27 C28 1.377(4) .
C27 H27 0.9300 .
C28 C29 1.377(4) .
C28 H28 0.9300 .
C29 C30 1.384(4) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C36 1.388(3) .
C31 C32 1.394(3) .
C32 C33 1.387(3) .
C32 H32 0.9300 .
C33 C34 1.379(4) .
C33 H33 0.9300 .
C34 C35 1.380(4) .
C34 H34 0.9300 .
C35 C36 1.389(3) .
C35 H35 0.9300 .
C36 H36 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
Sb1 N1 C1 C2 77.6(2) . . . .
Sb1 N1 C1 C2 -108.0(2) 2_576 . . .
Sb1 N1 C1 C6 -101.8(2) . . . .
Sb1 N1 C1 C6 72.6(3) 2_576 . . .
C6 C1 C2 C3 6.1(3) . . . .
N1 C1 C2 C3 -173.33(19) . . . .
C6 C1 C2 C7 -172.72(19) . . . .
N1 C1 C2 C7 7.9(3) . . . .
C1 C2 C3 C4 0.7(3) . . . .
C7 C2 C3 C4 179.5(2) . . . .
C2 C3 C4 C5 -5.5(3) . . . .
C2 C3 C4 C20 177.1(2) . . . .
C3 C4 C5 C6 3.7(3) . . . .
C20 C4 C5 C6 -178.9(2) . . . .
C4 C5 C6 C1 2.8(3) . . . .
C4 C5 C6 C24 -171.6(2) . . . .
C2 C1 C6 C5 -7.8(3) . . . .
N1 C1 C6 C5 171.62(19) . . . .
C2 C1 C6 C24 166.91(19) . . . .
N1 C1 C6 C24 -13.7(3) . . . .
C1 C2 C7 C8 -107.5(2) . . . .
C3 C2 C7 C8 73.7(3) . . . .
C1 C2 C7 C14 127.1(2) . . . .
C3 C2 C7 C14 -51.7(3) . . . .
C2 C7 C8 C13 -17.6(3) . . . .
C14 C7 C8 C13 106.9(2) . . . .
C2 C7 C8 C9 167.9(2) . . . .
C14 C7 C8 C9 -67.6(3) . . . .
C13 C8 C9 C10 -1.6(4) . . . .
C7 C8 C9 C10 173.2(2) . . . .
C8 C9 C10 C11 0.2(5) . . . .
C9 C10 C11 C12 1.0(5) . . . .
C10 C11 C12 C13 -0.7(5) . . . .
C9 C8 C13 C12 1.9(4) . . . .
C7 C8 C13 C12 -172.6(2) . . . .
C11 C12 C13 C8 -0.8(5) . . . .
C2 C7 C14 C15 -78.7(2) . . . .
C8 C7 C14 C15 154.0(2) . . . .
C2 C7 C14 C19 99.4(2) . . . .
C8 C7 C14 C19 -27.9(3) . . . .
C19 C14 C15 C16 0.9(3) . . . .
C7 C14 C15 C16 179.1(2) . . . .
C14 C15 C16 C17 -0.8(4) . . . .
C15 C16 C17 C18 0.0(4) . . . .
C16 C17 C18 C19 0.7(4) . . . .
C17 C18 C19 C14 -0.5(4) . . . .
C15 C14 C19 C18 -0.3(3) . . . .
C7 C14 C19 C18 -178.4(2) . . . .
C3 C4 C20 C23 -18.4(3) . . . .
C5 C4 C20 C23 164.3(3) . . . .
C3 C4 C20 C21 102.5(3) . . . .
C5 C4 C20 C21 -74.8(3) . . . .
C3 C4 C20 C22 -138.9(2) . . . .
C5 C4 C20 C22 43.8(3) . . . .
C5 C6 C24 C31 -20.3(3) . . . .
C1 C6 C24 C31 165.1(2) . . . .
C5 C6 C24 C25 106.8(2) . . . .
C1 C6 C24 C25 -67.8(2) . . . .
C6 C24 C25 C26 -11.1(3) . . . .
C31 C24 C25 C26 118.9(2) . . . .
C6 C24 C25 C30 166.0(2) . . . .
C31 C24 C25 C30 -64.0(3) . . . .
C30 C25 C26 C27 -0.7(4) . . . .
C24 C25 C26 C27 176.4(2) . . . .
C25 C26 C27 C28 0.5(4) . . . .
C26 C27 C28 C29 0.2(4) . . . .
C27 C28 C29 C30 -0.5(4) . . . .
C28 C29 C30 C25 0.2(4) . . . .
C26 C25 C30 C29 0.4(4) . . . .
C24 C25 C30 C29 -176.9(2) . . . .
C6 C24 C31 C36 -107.6(2) . . . .
C25 C24 C31 C36 125.6(2) . . . .
C6 C24 C31 C32 75.8(3) . . . .
C25 C24 C31 C32 -51.0(3) . . . .
C36 C31 C32 C33 0.9(3) . . . .
C24 C31 C32 C33 177.5(2) . . . .
C31 C32 C33 C34 -1.2(4) . . . .
C32 C33 C34 C35 0.4(4) . . . .
C33 C34 C35 C36 0.8(4) . . . .
C32 C31 C36 C35 0.3(3) . . . .
C24 C31 C36 C35 -176.5(2) . . . .
C34 C35 C36 C31 -1.1(4) . . . .
