#------------------------------------------------------------------------------
#$Date: 2023-10-19 01:56:18 +0300 (Thu, 19 Oct 2023) $
#$Revision: 287023 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/42/7714246.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_7714246
loop_
_publ_author_name
'Lan, Xiaofang'
'Zhang, Xin'
'Mei, Yanbo'
'Hu, Chaopeng'
'Liu, Liu Leo'
_publ_section_title
;
 Utilizing Bis(imino)dihydroacridanide Pincer Ligands in p-Block
 Chemistry: Synthesis and Catalysis of an Antimony Monocation Salt
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT03310D
_journal_year                    2023
_chemical_formula_moiety         'C49 H48 Cl2 N3 Sb, C7 H8'
_chemical_formula_sum            'C56 H56 Cl2 N3 Sb'
_chemical_formula_weight         963.68
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2022-11-19
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2022-11-21 deposited with the CCDC.	2023-10-17 downloaded from the CCDC.
;
_cell_angle_alpha                98.084(9)
_cell_angle_beta                 114.097(6)
_cell_angle_gamma                114.290(6)
_cell_formula_units_Z            2
_cell_length_a                   12.9492(14)
_cell_length_b                   15.3029(19)
_cell_length_c                   15.575(2)
_cell_measurement_reflns_used    9856
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      72.076
_cell_measurement_theta_min      3.785
_cell_volume                     2384.9(6)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293.15
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_unetI/netI     0.0228
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            55621
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.706
_diffrn_reflns_theta_min         3.347
_diffrn_source_current           0.0
_diffrn_source_power             0.0
_diffrn_source_voltage           0.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.918
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_correction_T_min  0.6727
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            violet
_exptl_crystal_colour_primary    violet
_exptl_crystal_density_diffrn    1.342
_exptl_crystal_description       block
_exptl_crystal_F_000             996
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.670
_refine_diff_density_min         -0.303
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     598
_refine_ls_number_reflns         9260
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0239
_refine_ls_R_factor_gt           0.0221
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0188P)²+1.8667P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0508
_refine_ls_wR_factor_ref         0.0515
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8808
_reflns_number_total             9260
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03310d2.cif
_cod_data_source_block           LSbCl2
_cod_original_cell_volume        2384.9(5)
_cod_database_code               7714246
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C34 \\sim C57 \\sim C58 \\sim C33 \\sim C59 \\sim C32: within 2A with sigma of
0.005 and sigma for terminal atoms of 0.01 within 2A
3. Others
 Fixed Sof: C32(0.67) H32A(0.67) H32B(0.67) H32C(0.67) C33(0.67) H33A(0.67)
 H33B(0.67) H33C(0.67) C34(0.67) H34A(0.67) H34B(0.67) H34C(0.67) C57(0.33)
 H57A(0.33) H57B(0.33) H57C(0.33) C59(0.33) H59A(0.33) H59B(0.33) H59C(0.33)
 C58(0.33) H58A(0.33) H58B(0.33) H58C(0.33)
4.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C9(H9), C13(H13), C15(H15), C19(H19), C20(H20), C21(H21), C22(H22),
 C23(H23), C25(H25), C26(H26), C27(H27), C28(H28), C29(H29), C39(H39), C40(H40),
  C41(H41), C42(H42), C43(H43), C45(H45), C46(H46), C47(H47), C48(H48),
 C49(H49), C52(H52), C53(H53), C54(H54), C55(H55), C56(H56)
4.b Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C32(H32A,H32B,H32C),
 C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,H35B,H35C), C36(H36A,H36B,
 H36C), C50(H50A,H50B,H50C), C57(H57A,H57B,H57C), C59(H59A,H59B,H59C), C58(H58A,
 H58B,H58C)
;
_olex2_submission_special_instructions 'No special instructions were received'
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 0.67946(2) 0.81217(2) 0.42071(2) 0.01215(4) Uani 1 1 d . . . . .
Cl1 Cl 0.55157(4) 0.75384(3) 0.51558(3) 0.02073(9) Uani 1 1 d . . . . .
Cl2 Cl 0.82235(5) 0.84836(4) 0.34064(3) 0.02573(10) Uani 1 1 d . . . . .
N1 N 0.76289(14) 0.72783(11) 0.47672(10) 0.0131(3) Uani 1 1 d . . . . .
N2 N 0.85775(14) 0.92308(11) 0.58004(10) 0.0135(3) Uani 1 1 d . . . . .
N3 N 0.53440(14) 0.64129(11) 0.30361(10) 0.0137(3) Uani 1 1 d . . . . .
C1 C 0.71532(16) 0.62931(13) 0.41481(12) 0.0124(3) Uani 1 1 d . . . . .
C2 C 0.59448(16) 0.58167(13) 0.32376(12) 0.0135(3) Uani 1 1 d . . . . .
C3 C 0.54074(17) 0.48360(13) 0.25703(12) 0.0148(3) Uani 1 1 d . . . . .
H3 H 0.463101 0.455654 0.194942 0.018 Uiso 1 1 calc R U . . .
C4 C 0.60088(17) 0.42680(13) 0.28148(13) 0.0152(3) Uani 1 1 d . . . . .
C5 C 0.54042(18) 0.31647(13) 0.21118(13) 0.0175(3) Uani 1 1 d . . . . .
C6 C 0.3950(2) 0.27021(15) 0.13051(16) 0.0293(5) Uani 1 1 d . . . . .
H6A H 0.346754 0.273324 0.162849 0.044 Uiso 1 1 calc R U . . .
H6B H 0.358122 0.199581 0.091184 0.044 Uiso 1 1 calc R U . . .
H6C H 0.389071 0.308741 0.086922 0.044 Uiso 1 1 calc R U . . .
C7 C 0.5449(2) 0.24661(15) 0.27244(15) 0.0263(4) Uani 1 1 d . . . . .
H7A H 0.635301 0.269267 0.319347 0.040 Uiso 1 1 calc R U . . .
H7B H 0.500619 0.176729 0.227311 0.040 Uiso 1 1 calc R U . . .
H7C H 0.501432 0.250079 0.309032 0.040 Uiso 1 1 calc R U . . .
C8 C 0.6189(2) 0.31807(16) 0.15968(17) 0.0323(5) Uani 1 1 d . . . . .
H8A H 0.614730 0.361040 0.120553 0.048 Uiso 1 1 calc R U . . .
H8B H 0.581792 0.249158 0.115901 0.048 Uiso 1 1 calc R U . . .
H8C H 0.709423 0.345033 0.210172 0.048 Uiso 1 1 calc R U . . .
C9 C 0.72015(17) 0.47428(13) 0.37384(13) 0.0161(3) Uani 1 1 d . . . . .
H9 H 0.762237 0.437444 0.391601 0.019 Uiso 1 1 calc R U . . .
C10 C 0.77926(17) 0.57406(13) 0.44072(12) 0.0139(3) Uani 1 1 d . . . . .
C11 C 0.91219(17) 0.62191(13) 0.53830(12) 0.0145(3) Uani 1 1 d . . . . .
C12 C 0.95571(16) 0.73005(13) 0.60146(12) 0.0136(3) Uani 1 1 d . . . . .
C13 C 1.07370(17) 0.78562(14) 0.69430(13) 0.0155(3) Uani 1 1 d . . . . .
H13 H 1.121307 0.753868 0.718221 0.019 Uiso 1 1 calc R U . . .
C14 C 1.12426(17) 0.88692(14) 0.75345(13) 0.0156(3) Uani 1 1 d . . . . .
C15 C 1.05247(17) 0.93341(13) 0.71679(12) 0.0151(3) Uani 1 1 d . . . . .
H15 H 1.084959 1.001466 0.753580 0.018 Uiso 1 1 calc R U . . .
C16 C 0.93207(17) 0.87898(13) 0.62529(12) 0.0138(3) Uani 1 1 d . . . . .
C17 C 0.85359(17) 0.99723(13) 0.62786(13) 0.0154(3) Uani 1 1 d . . . . .
C18 C 0.78807(18) 1.04537(13) 0.56955(13) 0.0177(4) Uani 1 1 d . . . . .
C19 C 0.80152(19) 1.06346(14) 0.48802(14) 0.0220(4) Uani 1 1 d . . . . .
H19 H 0.853728 1.046631 0.470947 0.026 Uiso 1 1 calc R U . . .
C20 C 0.7362(2) 1.10666(16) 0.43322(16) 0.0302(5) Uani 1 1 d . . . . .
H20 H 0.744555 1.118885 0.378919 0.036 Uiso 1 1 calc R U . . .
C21 C 0.6583(2) 1.13195(17) 0.45828(17) 0.0337(5) Uani 1 1 d . . . . .
H21 H 0.614033 1.160147 0.420181 0.040 Uiso 1 1 calc R U . . .
C22 C 0.6460(2) 1.11563(17) 0.53925(16) 0.0306(5) Uani 1 1 d . . . . .
H22 H 0.593980 1.133051 0.556000 0.037 Uiso 1 1 calc R U . . .
C23 C 0.7117(2) 1.07303(15) 0.59573(14) 0.0236(4) Uani 1 1 d . . . . .
H23 H 0.704759 1.062903 0.651093 0.028 Uiso 1 1 calc R U . . .
C24 C 0.90264(17) 1.03279(14) 0.73804(13) 0.0164(3) Uani 1 1 d . . . . .
C25 C 0.84639(19) 0.96270(14) 0.77679(14) 0.0200(4) Uani 1 1 d . . . . .
H25 H 0.783470 0.893860 0.735080 0.024 Uiso 1 1 calc R U . . .
C26 C 0.8852(2) 0.99668(16) 0.87803(15) 0.0255(4) Uani 1 1 d . . . . .
H26 H 0.847256 0.950710 0.904327 0.031 Uiso 1 1 calc R U . . .
C27 C 0.9804(2) 1.09901(16) 0.94030(14) 0.0256(4) Uani 1 1 d . . . . .
H27 H 1.007288 1.121022 1.008541 0.031 Uiso 1 1 calc R U . . .
C28 C 1.03575(19) 1.16878(15) 0.90162(14) 0.0232(4) Uani 1 1 d . . . . .
H28 H 1.099917 1.237278 0.943835 0.028 Uiso 1 1 calc R U . . .
C29 C 0.99525(18) 1.13617(14) 0.79996(13) 0.0193(4) Uani 1 1 d . . . . .
H29 H 1.029787 1.183185 0.773122 0.023 Uiso 1 1 calc R U . . .
C30 C 0.88319(16) 0.77743(13) 0.56670(12) 0.0122(3) Uani 1 1 d . . . . .
C31 C 1.25498(18) 0.94500(15) 0.85523(13) 0.0204(4) Uani 1 1 d . . . . .
C32 C 1.2978(4) 1.0538(3) 0.9032(3) 0.0448(10) Uani 0.67 1 d . U P A 2
H32A H 1.306509 1.089282 0.858163 0.067 Uiso 0.67 1 calc R U P A 2
H32B H 1.381580 1.086555 0.965250 0.067 Uiso 0.67 1 calc R U P A 2
H32C H 1.233268 1.056060 0.917369 0.067 Uiso 0.67 1 calc R U P A 2
C33 C 1.3638(3) 0.9429(3) 0.8369(3) 0.0338(7) Uani 0.67 1 d . U P A 2
H33A H 1.336756 0.872690 0.805154 0.051 Uiso 0.67 1 calc R U P A 2
H33B H 1.445375 0.974760 0.900483 0.051 Uiso 0.67 1 calc R U P A 2
H33C H 1.376133 0.980009 0.793652 0.051 Uiso 0.67 1 calc R U P A 2
C34 C 1.2409(3) 0.8844(3) 0.9250(2) 0.0412(9) Uani 0.67 1 d . U P A 2
H34A H 1.174380 0.883419 0.938317 0.062 Uiso 0.67 1 calc R U P A 2
H34B H 1.323954 0.917252 0.987701 0.062 Uiso 0.67 1 calc R U P A 2
H34C H 1.215786 0.814975 0.892516 0.062 Uiso 0.67 1 calc R U P A 2
C35 C 0.90304(19) 0.55205(14) 0.60054(13) 0.0189(4) Uani 1 1 d . . . . .
H35A H 0.842140 0.549277 0.621731 0.028 Uiso 1 1 calc R U . . .
H35B H 0.988806 0.579629 0.659037 0.028 Uiso 1 1 calc R U . . .
H35C H 0.872486 0.483764 0.559604 0.028 Uiso 1 1 calc R U . . .
C36 C 1.01615(18) 0.63219(14) 0.50956(14) 0.0192(4) Uani 1 1 d . . . . .
H36A H 0.988157 0.565788 0.466418 0.029 Uiso 1 1 calc R U . . .
H36B H 1.099619 0.658067 0.569863 0.029 Uiso 1 1 calc R U . . .
H36C H 1.025421 0.679131 0.474492 0.029 Uiso 1 1 calc R U . . .
C37 C 0.40774(17) 0.60306(13) 0.26358(12) 0.0149(3) Uani 1 1 d . . . . .
C38 C 0.35639(17) 0.66953(13) 0.22871(13) 0.0170(3) Uani 1 1 d . . . . .
C39 C 0.41594(19) 0.73832(15) 0.19004(14) 0.0222(4) Uani 1 1 d . . . . .
H39 H 0.488491 0.743061 0.187465 0.027 Uiso 1 1 calc R U . . .
C40 C 0.3666(2) 0.79956(16) 0.15548(16) 0.0305(5) Uani 1 1 d . . . . .
H40 H 0.406262 0.845414 0.129854 0.037 Uiso 1 1 calc R U . . .
C41 C 0.2582(2) 0.79235(16) 0.15915(17) 0.0328(5) Uani 1 1 d . . . . .
H41 H 0.225401 0.833404 0.135890 0.039 Uiso 1 1 calc R U . . .
C42 C 0.1989(2) 0.72457(16) 0.19715(17) 0.0299(5) Uani 1 1 d . . . . .
H42 H 0.126385 0.720191 0.199483 0.036 Uiso 1 1 calc R U . . .
C43 C 0.24700(18) 0.66315(15) 0.23176(14) 0.0222(4) Uani 1 1 d . . . . .
H43 H 0.206556 0.617454 0.257132 0.027 Uiso 1 1 calc R U . . .
C44 C 0.31521(17) 0.49819(13) 0.25205(13) 0.0161(3) Uani 1 1 d . . . . .
C45 C 0.35283(18) 0.46099(14) 0.32960(14) 0.0185(4) Uani 1 1 d . . . . .
H45 H 0.432795 0.504106 0.390325 0.022 Uiso 1 1 calc R U . . .
C46 C 0.27202(19) 0.36070(15) 0.31655(15) 0.0224(4) Uani 1 1 d . . . . .
H46 H 0.298488 0.336147 0.367901 0.027 Uiso 1 1 calc R U . . .
C47 C 0.15135(19) 0.29657(14) 0.22685(15) 0.0231(4) Uani 1 1 d . . . . .
H47 H 0.097740 0.228649 0.217534 0.028 Uiso 1 1 calc R U . . .
C48 C 0.11092(19) 0.33386(14) 0.15130(14) 0.0221(4) Uani 1 1 d . . . . .
H48 H 0.028871 0.291452 0.092081 0.027 Uiso 1 1 calc R U . . .
C49 C 0.19219(17) 0.43422(14) 0.16342(13) 0.0183(4) Uani 1 1 d . . . . .
H49 H 0.164501 0.458790 0.112339 0.022 Uiso 1 1 calc R U . . .
C50 C -0.3420(2) 0.6275(2) 0.10131(18) 0.0400(5) Uani 1 1 d . . . . .
H50A H -0.381157 0.615101 0.142352 0.060 Uiso 1 1 calc R U . . .
H50B H -0.410466 0.595298 0.031131 0.060 Uiso 1 1 calc R U . . .
H50C H -0.290278 0.700447 0.118501 0.060 Uiso 1 1 calc R U . . .
C51 C -0.2553(2) 0.58340(17) 0.11983(16) 0.0326(5) Uani 1 1 d . . . . .
C52 C -0.1599(2) 0.60716(16) 0.21795(15) 0.0293(5) Uani 1 1 d . . . . .
H52 H -0.149915 0.650683 0.272625 0.035 Uiso 1 1 calc R U . . .
C53 C -0.0798(2) 0.56575(17) 0.23400(17) 0.0329(5) Uani 1 1 d . . . . .
H53 H -0.015725 0.582791 0.300096 0.039 Uiso 1 1 calc R U . . .
C54 C -0.0914(2) 0.49979(18) 0.15522(17) 0.0345(5) Uani 1 1 d . . . . .
H54 H -0.037231 0.472091 0.167732 0.041 Uiso 1 1 calc R U . . .
C55 C -0.1848(2) 0.47683(19) 0.05871(18) 0.0366(5) Uani 1 1 d . . . . .
H55 H -0.193400 0.433317 0.004857 0.044 Uiso 1 1 calc R U . . .
C56 C -0.2665(2) 0.51623(17) 0.03892(15) 0.0312(5) Uani 1 1 d . . . . .
H56 H -0.329380 0.498955 -0.027658 0.037 Uiso 1 1 calc R U . . .
C57 C 1.2205(6) 0.9610(5) 0.9400(4) 0.0278(13) Uani 0.33 1 d . U P A 1
H57A H 1.177361 0.999978 0.929193 0.042 Uiso 0.33 1 calc R U P A 1
H57B H 1.300483 0.997855 1.005257 0.042 Uiso 0.33 1 calc R U P A 1
H57C H 1.162788 0.895038 0.937301 0.042 Uiso 0.33 1 calc R U P A 1
C59 C 1.3419(6) 1.0563(6) 0.8614(5) 0.0336(15) Uani 0.33 1 d . U P A 1
H59A H 1.360818 1.051328 0.807977 0.050 Uiso 0.33 1 calc R U P A 1
H59B H 1.423240 1.093624 0.925650 0.050 Uiso 0.33 1 calc R U P A 1
H59C H 1.294655 1.092045 0.854211 0.050 Uiso 0.33 1 calc R U P A 1
C58 C 1.3291(7) 0.8932(6) 0.8760(5) 0.0398(18) Uani 0.33 1 d . U P A 1
H58A H 1.278501 0.828744 0.879736 0.060 Uiso 0.33 1 calc R U P A 1
H58B H 1.411257 0.935984 0.939276 0.060 Uiso 0.33 1 calc R U P A 1
H58C H 1.346556 0.880607 0.822704 0.060 Uiso 0.33 1 calc R U P A 1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 '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
Cl2 Sb1 Cl1 169.126(15) . . ?
N1 Sb1 Cl1 84.88(4) . . ?
N1 Sb1 Cl2 84.25(4) . . ?
N1 Sb1 N2 74.58(5) . . ?
N1 Sb1 N3 73.48(5) . . ?
N2 Sb1 Cl1 84.51(4) . . ?
N2 Sb1 Cl2 92.89(4) . . ?
N2 Sb1 N3 147.20(5) . . ?
N3 Sb1 Cl1 85.41(4) . . ?
N3 Sb1 Cl2 91.20(4) . . ?
C1 N1 Sb1 120.01(11) . . ?
C30 N1 Sb1 119.36(11) . . ?
C30 N1 C1 119.04(14) . . ?
C16 N2 Sb1 112.13(10) . . ?
C17 N2 Sb1 117.69(11) . . ?
C17 N2 C16 125.89(14) . . ?
C2 N3 Sb1 110.91(10) . . ?
C37 N3 Sb1 118.38(11) . . ?
C37 N3 C2 123.35(15) . . ?
N1 C1 C2 117.79(15) . . ?
N1 C1 C10 123.52(15) . . ?
C2 C1 C10 118.64(15) . . ?
C1 C2 N3 115.49(15) . . ?
C3 C2 N3 123.10(15) . . ?
C3 C2 C1 121.38(15) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.03(16) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 C5 122.10(15) . . ?
C3 C4 C9 117.01(15) . . ?
C9 C4 C5 120.89(15) . . ?
C6 C5 C4 111.42(15) . . ?
C6 C5 C7 107.16(16) . . ?
C7 C5 C4 109.98(14) . . ?
C8 C5 C4 109.11(15) . . ?
C8 C5 C6 109.45(16) . . ?
C8 C5 C7 109.70(17) . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9 118.3 . . ?
C10 C9 C4 123.32(16) . . ?
C10 C9 H9 118.3 . . ?
C1 C10 C11 121.35(15) . . ?
C9 C10 C1 118.50(15) . . ?
C9 C10 C11 120.13(15) . . ?
C10 C11 C12 111.07(14) . . ?
C10 C11 C35 109.91(14) . . ?
C10 C11 C36 108.02(14) . . ?
C12 C11 C35 109.98(14) . . ?
C12 C11 C36 108.00(14) . . ?
C36 C11 C35 109.81(14) . . ?
C13 C12 C11 119.67(15) . . ?
C13 C12 C30 118.22(15) . . ?
C30 C12 C11 122.04(15) . . ?
C12 C13 H13 118.4 . . ?
C12 C13 C14 123.15(16) . . ?
C14 C13 H13 118.4 . . ?
C13 C14 C31 121.16(16) . . ?
C15 C14 C13 117.83(15) . . ?
C15 C14 C31 121.01(16) . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.50(16) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 N2 123.68(15) . . ?
C15 C16 C30 120.81(15) . . ?
C30 C16 N2 115.23(14) . . ?
N2 C17 C18 118.90(15) . . ?
N2 C17 C24 124.37(15) . . ?
C18 C17 C24 116.59(15) . . ?
C19 C18 C17 120.52(17) . . ?
C23 C18 C17 119.63(16) . . ?
C23 C18 C19 119.85(17) . . ?
C18 C19 H19 120.4 . . ?
C20 C19 C18 119.12(19) . . ?
C20 C19 H19 120.4 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.7(2) . . ?
C21 C20 H20 119.6 . . ?
C20 C21 H21 119.8 . . ?
C22 C21 C20 120.47(19) . . ?
C22 C21 H21 119.8 . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.7(2) . . ?
C23 C22 H22 120.2 . . ?
C18 C23 H23 119.9 . . ?
C22 C23 C18 120.13(19) . . ?
C22 C23 H23 119.9 . . ?
C25 C24 C17 118.84(16) . . ?
C29 C24 C17 120.52(16) . . ?
C29 C24 C25 120.43(16) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 C24 119.30(18) . . ?
C26 C25 H25 120.4 . . ?
C25 C26 H26 119.9 . . ?
C25 C26 C27 120.19(19) . . ?
C27 C26 H26 119.9 . . ?
C26 C27 H27 119.8 . . ?
C26 C27 C28 120.49(17) . . ?
C28 C27 H27 119.8 . . ?
C27 C28 H28 120.1 . . ?
C29 C28 C27 119.77(18) . . ?
C29 C28 H28 120.1 . . ?
C24 C29 H29 120.1 . . ?
C28 C29 C24 119.77(18) . . ?
C28 C29 H29 120.1 . . ?
N1 C30 C12 122.75(15) . . ?
N1 C30 C16 117.79(15) . . ?
C12 C30 C16 119.45(15) . . ?
C14 C31 C33 108.03(17) . . ?
C14 C31 C34 108.29(19) . . ?
C14 C31 C57 107.0(3) . . ?
C14 C31 C59 109.1(3) . . ?
C32 C31 C14 113.46(18) . . ?
C32 C31 C33 108.6(3) . . ?
C32 C31 C34 111.7(3) . . ?
C34 C31 C33 106.5(2) . . ?
C59 C31 C57 105.6(4) . . ?
C58 C31 C14 114.7(3) . . ?
C58 C31 C57 109.5(5) . . ?
C58 C31 C59 110.5(5) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C11 C35 H35A 109.5 . . ?
C11 C35 H35B 109.5 . . ?
C11 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C11 C36 H36A 109.5 . . ?
C11 C36 H36B 109.5 . . ?
C11 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
N3 C37 C38 116.92(15) . . ?
N3 C37 C44 123.42(16) . . ?
C38 C37 C44 119.66(15) . . ?
C39 C38 C37 119.68(17) . . ?
C39 C38 C43 119.30(17) . . ?
C43 C38 C37 121.01(17) . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 119.92(19) . . ?
C40 C39 H39 120.0 . . ?
C39 C40 H40 120.0 . . ?
C41 C40 C39 120.0(2) . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 119.8 . . ?
C42 C41 C40 120.34(19) . . ?
C42 C41 H41 119.8 . . ?
C41 C42 H42 119.9 . . ?
C41 C42 C43 120.2(2) . . ?
C43 C42 H42 119.9 . . ?
C38 C43 H43 119.9 . . ?
C42 C43 C38 120.20(19) . . ?
C42 C43 H43 119.9 . . ?
C45 C44 C37 119.97(16) . . ?
C49 C44 C37 120.97(16) . . ?
C49 C44 C45 119.02(17) . . ?
C44 C45 H45 119.8 . . ?
C46 C45 C44 120.49(17) . . ?
C46 C45 H45 119.8 . . ?
C45 C46 H46 120.0 . . ?
C45 C46 C47 120.04(17) . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 C46 119.90(17) . . ?
C48 C47 H47 120.0 . . ?
C47 C48 H48 119.8 . . ?
C47 C48 C49 120.38(18) . . ?
C49 C48 H48 119.8 . . ?
C44 C49 H49 120.0 . . ?
C48 C49 C44 120.08(17) . . ?
C48 C49 H49 120.0 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C51 C50 H50A 109.5 . . ?
C51 C50 H50B 109.5 . . ?
C51 C50 H50C 109.5 . . ?
C52 C51 C50 120.3(2) . . ?
C52 C51 C56 117.8(2) . . ?
C56 C51 C50 121.9(2) . . ?
C51 C52 H52 120.2 . . ?
C53 C52 C51 119.6(2) . . ?
C53 C52 H52 120.2 . . ?
C52 C53 H53 118.8 . . ?
C52 C53 C54 122.5(2) . . ?
C54 C53 H53 118.8 . . ?
C53 C54 H54 121.1 . . ?
C55 C54 C53 117.8(2) . . ?
C55 C54 H54 121.1 . . ?
C54 C55 H55 119.1 . . ?
C54 C55 C56 121.8(2) . . ?
C56 C55 H55 119.1 . . ?
C51 C56 H56 119.8 . . ?
C55 C56 C51 120.4(2) . . ?
C55 C56 H56 119.8 . . ?
C31 C57 H57A 109.5 . . ?
C31 C57 H57B 109.5 . . ?
C31 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C31 C59 H59A 109.5 . . ?
C31 C59 H59B 109.5 . . ?
C31 C59 H59C 109.5 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C31 C58 H58A 109.5 . . ?
C31 C58 H58B 109.5 . . ?
C31 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 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 Cl1 2.6222(5) . ?
Sb1 Cl2 2.5536(5) . ?
Sb1 N1 2.0708(14) . ?
Sb1 N2 2.2984(14) . ?
Sb1 N3 2.3479(15) . ?
N1 C1 1.387(2) . ?
N1 C30 1.383(2) . ?
N2 C16 1.412(2) . ?
N2 C17 1.300(2) . ?
N3 C2 1.415(2) . ?
N3 C37 1.302(2) . ?
C1 C2 1.396(2) . ?
C1 C10 1.401(2) . ?
C2 C3 1.389(2) . ?
C3 H3 0.9300 . ?
C3 C4 1.384(2) . ?
C4 C5 1.535(2) . ?
C4 C9 1.397(2) . ?
C5 C6 1.532(3) . ?
C5 C7 1.533(3) . ?
C5 C8 1.525(3) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9 0.9300 . ?
C9 C10 1.394(2) . ?
C10 C11 1.524(2) . ?
C11 C12 1.532(2) . ?
C11 C35 1.542(2) . ?
C11 C36 1.541(2) . ?
C12 C13 1.389(2) . ?
C12 C30 1.399(2) . ?
C13 H13 0.9300 . ?
C13 C14 1.397(2) . ?
C14 C15 1.386(2) . ?
C14 C31 1.531(2) . ?
C15 H15 0.9300 . ?
C15 C16 1.392(2) . ?
C16 C30 1.403(2) . ?
C17 C18 1.470(2) . ?
C17 C24 1.486(2) . ?
C18 C19 1.400(3) . ?
C18 C23 1.396(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.383(3) . ?
C20 H20 0.9300 . ?
C20 C21 1.385(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.378(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.389(3) . ?
C23 H23 0.9300 . ?
C24 C25 1.394(3) . ?
C24 C29 1.392(3) . ?
C25 H25 0.9300 . ?
C25 C26 1.384(3) . ?
C26 H26 0.9300 . ?
C26 C27 1.386(3) . ?
C27 H27 0.9300 . ?
C27 C28 1.386(3) . ?
C28 H28 0.9300 . ?
C28 C29 1.384(3) . ?
C29 H29 0.9300 . ?
C31 C32 1.479(4) . ?
C31 C33 1.559(4) . ?
C31 C34 1.543(4) . ?
C31 C57 1.576(6) . ?
C31 C59 1.571(7) . ?
C31 C58 1.448(7) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 C38 1.480(2) . ?
C37 C44 1.485(2) . ?
C38 C39 1.398(3) . ?
C38 C43 1.400(3) . ?
C39 H39 0.9300 . ?
C39 C40 1.389(3) . ?
C40 H40 0.9300 . ?
C40 C41 1.387(3) . ?
C41 H41 0.9300 . ?
C41 C42 1.380(3) . ?
C42 H42 0.9300 . ?
C42 C43 1.382(3) . ?
C43 H43 0.9300 . ?
C44 C45 1.400(2) . ?
C44 C49 1.394(2) . ?
C45 H45 0.9300 . ?
C45 C46 1.382(3) . ?
C46 H46 0.9300 . ?
C46 C47 1.388(3) . ?
C47 H47 0.9300 . ?
C47 C48 1.384(3) . ?
C48 H48 0.9300 . ?
C48 C49 1.389(3) . ?
C49 H49 0.9300 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C50 C51 1.487(4) . ?
C51 C52 1.388(3) . ?
C51 C56 1.425(3) . ?
C52 H52 0.9300 . ?
C52 C53 1.384(3) . ?
C53 H53 0.9300 . ?
C53 C54 1.387(3) . ?
C54 H54 0.9300 . ?
C54 C55 1.365(3) . ?
C55 H55 0.9300 . ?
C55 C56 1.374(3) . ?
C56 H56 0.9300 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
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 N1 C1 C2 -13.6(2) . . . . ?
Sb1 N1 C1 C10 169.04(13) . . . . ?
Sb1 N1 C30 C12 -169.76(12) . . . . ?
Sb1 N1 C30 C16 11.2(2) . . . . ?
Sb1 N2 C16 C15 172.84(13) . . . . ?
Sb1 N2 C16 C30 -1.03(18) . . . . ?
Sb1 N2 C17 C18 -34.7(2) . . . . ?
Sb1 N2 C17 C24 140.73(14) . . . . ?
Sb1 N3 C2 C1 9.36(17) . . . . ?
Sb1 N3 C2 C3 -168.63(13) . . . . ?
Sb1 N3 C37 C38 44.37(19) . . . . ?
Sb1 N3 C37 C44 -135.49(14) . . . . ?
N1 C1 C2 N3 1.3(2) . . . . ?
N1 C1 C2 C3 179.28(15) . . . . ?
N1 C1 C10 C9 178.08(16) . . . . ?
N1 C1 C10 C11 -3.4(3) . . . . ?
N2 C16 C30 N1 -6.0(2) . . . . ?
N2 C16 C30 C12 174.87(15) . . . . ?
N2 C17 C18 C19 -38.8(2) . . . . ?
N2 C17 C18 C23 141.10(18) . . . . ?
N2 C17 C24 C25 -60.0(2) . . . . ?
N2 C17 C24 C29 125.24(19) . . . . ?
N3 C2 C3 C4 -177.87(16) . . . . ?
N3 C37 C38 C39 33.0(2) . . . . ?
N3 C37 C38 C43 -148.35(17) . . . . ?
N3 C37 C44 C45 40.3(2) . . . . ?
N3 C37 C44 C49 -137.60(18) . . . . ?
C1 N1 C30 C12 -4.1(2) . . . . ?
C1 N1 C30 C16 176.81(15) . . . . ?
C1 C2 C3 C4 4.3(3) . . . . ?
C1 C10 C11 C12 3.5(2) . . . . ?
C1 C10 C11 C35 125.40(17) . . . . ?
C1 C10 C11 C36 -114.80(17) . . . . ?
C2 N3 C37 C38 -168.37(15) . . . . ?
C2 N3 C37 C44 11.8(2) . . . . ?
C2 C1 C10 C9 0.7(2) . . . . ?
C2 C1 C10 C11 179.21(15) . . . . ?
C2 C3 C4 C5 177.28(16) . . . . ?
C2 C3 C4 C9 -2.6(3) . . . . ?
C3 C4 C5 C6 -15.5(2) . . . . ?
C3 C4 C5 C7 -134.18(18) . . . . ?
C3 C4 C5 C8 105.5(2) . . . . ?
C3 C4 C9 C10 0.1(3) . . . . ?
C4 C9 C10 C1 0.8(3) . . . . ?
C4 C9 C10 C11 -177.71(16) . . . . ?
C5 C4 C9 C10 -179.77(16) . . . . ?
C9 C4 C5 C6 164.40(17) . . . . ?
C9 C4 C5 C7 45.7(2) . . . . ?
C9 C4 C5 C8 -74.6(2) . . . . ?
C9 C10 C11 C12 -178.07(15) . . . . ?
C9 C10 C11 C35 -56.1(2) . . . . ?
C9 C10 C11 C36 63.7(2) . . . . ?
C10 C1 C2 N3 178.76(15) . . . . ?
C10 C1 C2 C3 -3.2(2) . . . . ?
C10 C11 C12 C13 178.85(15) . . . . ?
C10 C11 C12 C30 -4.1(2) . . . . ?
C11 C12 C13 C14 175.94(16) . . . . ?
C11 C12 C30 N1 4.7(3) . . . . ?
C11 C12 C30 C16 -176.22(15) . . . . ?
C12 C13 C14 C15 -0.2(3) . . . . ?
C12 C13 C14 C31 -179.88(16) . . . . ?
C13 C12 C30 N1 -178.19(15) . . . . ?
C13 C12 C30 C16 0.9(2) . . . . ?
C13 C14 C15 C16 1.9(3) . . . . ?
C13 C14 C31 C32 175.5(3) . . . . ?
C13 C14 C31 C33 55.0(3) . . . . ?
C13 C14 C31 C34 -59.9(3) . . . . ?
C13 C14 C31 C57 -112.4(3) . . . . ?
C13 C14 C31 C59 133.8(4) . . . . ?
C13 C14 C31 C58 9.2(5) . . . . ?
C14 C15 C16 N2 -175.76(16) . . . . ?
C14 C15 C16 C30 -2.2(3) . . . . ?
C15 C14 C31 C32 -4.2(3) . . . . ?
C15 C14 C31 C33 -124.7(2) . . . . ?
C15 C14 C31 C34 120.4(2) . . . . ?
C15 C14 C31 C57 67.9(3) . . . . ?
C15 C14 C31 C59 -45.9(4) . . . . ?
C15 C14 C31 C58 -170.5(5) . . . . ?
C15 C16 C30 N1 179.91(15) . . . . ?
C15 C16 C30 C12 0.8(2) . . . . ?
C16 N2 C17 C18 170.47(16) . . . . ?
C16 N2 C17 C24 -14.1(3) . . . . ?
C17 N2 C16 C15 -31.2(3) . . . . ?
C17 N2 C16 C30 154.96(17) . . . . ?
C17 C18 C19 C20 178.51(17) . . . . ?
C17 C18 C23 C22 -178.01(18) . . . . ?
C17 C24 C25 C26 -175.77(17) . . . . ?
C17 C24 C29 C28 177.30(17) . . . . ?
C18 C17 C24 C25 115.53(19) . . . . ?
C18 C17 C24 C29 -59.2(2) . . . . ?
C18 C19 C20 C21 0.0(3) . . . . ?
C19 C18 C23 C22 1.9(3) . . . . ?
C19 C20 C21 C22 0.8(3) . . . . ?
C20 C21 C22 C23 -0.3(3) . . . . ?
C21 C22 C23 C18 -1.0(3) . . . . ?
C23 C18 C19 C20 -1.4(3) . . . . ?
C24 C17 C18 C19 145.41(17) . . . . ?
C24 C17 C18 C23 -34.7(2) . . . . ?
C24 C25 C26 C27 -0.9(3) . . . . ?
C25 C24 C29 C28 2.7(3) . . . . ?
C25 C26 C27 C28 1.3(3) . . . . ?
C26 C27 C28 C29 0.3(3) . . . . ?
C27 C28 C29 C24 -2.3(3) . . . . ?
C29 C24 C25 C26 -1.0(3) . . . . ?
C30 N1 C1 C2 -179.13(15) . . . . ?
C30 N1 C1 C10 3.5(2) . . . . ?
C30 C12 C13 C14 -1.2(3) . . . . ?
C31 C14 C15 C16 -178.41(16) . . . . ?
C35 C11 C12 C13 57.0(2) . . . . ?
C35 C11 C12 C30 -126.01(17) . . . . ?
C36 C11 C12 C13 -62.9(2) . . . . ?
C36 C11 C12 C30 114.17(17) . . . . ?
C37 N3 C2 C1 -140.01(16) . . . . ?
C37 N3 C2 C3 42.0(2) . . . . ?
C37 C38 C39 C40 178.82(17) . . . . ?
C37 C38 C43 C42 -178.83(17) . . . . ?
C37 C44 C45 C46 -174.86(16) . . . . ?
C37 C44 C49 C48 175.52(17) . . . . ?
C38 C37 C44 C45 -139.53(17) . . . . ?
C38 C37 C44 C49 42.5(2) . . . . ?
C38 C39 C40 C41 -0.1(3) . . . . ?
C39 C38 C43 C42 -0.2(3) . . . . ?
C39 C40 C41 C42 0.1(3) . . . . ?
C40 C41 C42 C43 -0.1(3) . . . . ?
C41 C42 C43 C38 0.2(3) . . . . ?
C43 C38 C39 C40 0.2(3) . . . . ?
C44 C37 C38 C39 -147.09(17) . . . . ?
C44 C37 C38 C43 31.5(2) . . . . ?
C44 C45 C46 C47 -1.3(3) . . . . ?
C45 C44 C49 C48 -2.4(3) . . . . ?
C45 C46 C47 C48 -1.3(3) . . . . ?
C46 C47 C48 C49 2.0(3) . . . . ?
C47 C48 C49 C44 -0.1(3) . . . . ?
C49 C44 C45 C46 3.1(3) . . . . ?
C50 C51 C52 C53 -179.9(2) . . . . ?
C50 C51 C56 C55 -180.0(2) . . . . ?
C51 C52 C53 C54 -0.6(3) . . . . ?
C52 C51 C56 C55 0.1(3) . . . . ?
C52 C53 C54 C55 0.8(3) . . . . ?
C53 C54 C55 C56 -0.7(3) . . . . ?
C54 C55 C56 C51 0.2(3) . . . . ?
C56 C51 C52 C53 0.1(3) . . . . ?
