# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_(C12H28N)SbCl4
_database_code_depnum_ccdc_archive 'CCDC 2443372'
loop_
_audit_author_name
_audit_author_address
'T H'
;Guangxi university
China
;
_audit_update_record             
;
2025-04-13 deposited with the CCDC.	2026-01-13 downloaded from the CCDC.
;
_audit_creation_date             2021-08-03
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl4 Sb, C12 H28 N'
_chemical_formula_sum            'C12 H28 Cl4 N Sb'
_chemical_formula_weight         449.90
_chemical_melting_point          ?
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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.19840(10)
_cell_length_b                   15.74030(10)
_cell_length_c                   13.67940(10)
_cell_angle_alpha                90
_cell_angle_beta                 91.5970(10)
_cell_angle_gamma                90
_cell_volume                     3916.92(4)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    22628
_cell_measurement_temperature    296.25(10)
_cell_measurement_theta_max      73.5270
_cell_measurement_theta_min      4.8620
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    16.080
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.44381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1808
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0698
_diffrn_reflns_av_unetI/netI     0.0358
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            48777
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.990
_diffrn_reflns_theta_min         2.429
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      296.25(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00 -24.00   0.50    0.50    --    0.00 -31.00-166.00   90
  2  ω     89.00 115.00   0.50    1.00    --   94.60  31.00  -6.00   52
  3  ω    126.00 184.00   0.50    1.00    --   94.60  31.00  -6.00  116
  4  ω     33.00 107.00   0.50    1.00    --   94.60 -31.00-166.00  148
  5  ω    -13.00  89.00   0.50    0.50    --    0.00  31.00  -6.00  204
  6  ω    -32.00  31.00   0.50    0.50    --    0.00 -82.00 150.00  126
  7  ω    -15.00  10.00   0.50    0.50    --    0.00 -82.00-150.00   50
  8  ω    -13.00  13.00   0.50    0.50    --    0.00 -82.00 -60.00   52
  9  ω    -41.00  29.00   0.50    0.50    --    0.00 -77.00 -90.00  140
 10  ω    -32.00  25.00   0.50    0.50    --    0.00 -82.00-120.00  114
 11  ω     93.00 125.00   0.50    1.00    --   94.60 -82.00 -30.00   64
 12  ω      5.00  85.00   0.50    1.00    --   94.60 -82.00 -30.00  160
 13  ω     77.00 103.00   0.50    1.00    --   94.60 -82.00  60.00   52
 14  ω     47.00 126.00   0.50    1.00    --   94.60 -82.00 150.00  158
 15  ω      7.00 117.00   0.50    1.00    --   94.60 -61.00 -30.00  220
 16  ω      7.00  33.00   0.50    1.00    --   94.60 -82.00 120.00   52
 17  ω     57.00  99.00   0.50    1.00    --   94.60 -82.00 120.00   84
 18  ω      5.00  87.00   0.50    1.00    --   94.60 -61.00-120.00  164
 19  ω     12.00 112.00   0.50    1.00    --   94.60 -45.00  60.00  200
 20  ω     54.00 117.00   0.50    1.00    --   94.60 -15.00 -90.00  126
 21  ω      8.00  40.00   0.50    1.00    --   94.60 -15.00 -90.00   64
 22  ω     10.00 111.00   0.50    1.00    --   94.60 -30.00  60.00  202
 23  ω     13.00  74.00   0.50    1.00    --   94.60 -61.00  60.00  122
 24  ω     89.00 119.00   0.50    1.00    --   94.60 -82.00-150.00   60
 25  ω     18.00  75.00   0.50    1.00    --   94.60 -82.00-150.00  114
 26  ω    130.00 161.00   0.50    1.00    --   94.60  77.00   0.00   62
 27  ω     87.00 113.00   0.50    1.00    --   94.60 -82.00 -60.00   52
 28  ω     86.00 111.00   0.50    1.00    --   94.60 -82.00  30.00   50
 29  ω     32.00  76.00   0.50    1.00    --   94.60 -77.00-150.00   88
 30  ω     73.00  99.00   0.50    1.00    --   94.60  61.00 -90.00   52
 31  ω     12.00  38.00   0.50    1.00    --   94.60 -82.00  60.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0019468000
_diffrn_orient_matrix_UB_12      -0.0444952000
_diffrn_orient_matrix_UB_13      0.1002067000
_diffrn_orient_matrix_UB_21      0.0335336000
_diffrn_orient_matrix_UB_22      -0.0804484000
_diffrn_orient_matrix_UB_23      -0.0448575000
_diffrn_orient_matrix_UB_31      0.0777405000
_diffrn_orient_matrix_UB_32      0.0335928000
_diffrn_orient_matrix_UB_33      0.0252535000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7071
_reflns_number_total             7852
_reflns_odcompleteness_completeness 100.00
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_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)'
_refine_diff_density_max         0.943
_refine_diff_density_min         -0.741
_refine_diff_density_rms         0.087
_refine_ls_extinction_coef       0.00058(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         7852
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0331
_refine_ls_restrained_S_all      1.028
_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)+(0.0498P)²+1.3532P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.0900
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00D(H00Z,H), C00E(H00,HA), C00F(H00A,H00B), C00G(H1,HB), C00H(H00C,H00D),
 C00I(H2,HC), C00J(H00E,H00F), C00K(H00G,H00H), C00L(H00I,H00J), C00M(H3,HD),
 C00N(H4,HE), C00O(H5,HF), C00P(H6,HG), C00Q(H00K,H00L), C00S(H00M,H00N),
 C00Z(H00X,H00Y)
2.b Idealised Me refined as rotating group:
 C00R(H7,HH,HI), C00T(H8,HJ,HK), C00U(H00O,H00P,H00Q), C00V(H9,HL,HM),
 C00W(H10,HN,HO), C00X(H00R,H00S,H00T), C00Y(H00U,H00V,H00W), C010(H01A,H01B,
 H01C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
Sb01 Sb 0.91457(2) 0.41626(2) 0.52516(2) 0.05024(8) Uani 1 1 d . . . . .
Sb02 Sb 0.57049(2) 0.59289(2) 1.05921(2) 0.05425(8) Uani 1 1 d . . . . .
Cl03 Cl 0.90595(5) 0.26448(5) 0.56916(7) 0.0721(2) Uani 1 1 d . . . . .
Cl04 Cl 0.93407(5) 0.45619(6) 0.68981(6) 0.0732(2) Uani 1 1 d . . . . .
Cl05 Cl 0.56721(5) 0.65485(7) 0.90345(6) 0.0811(3) Uani 1 1 d . . . . .
Cl06 Cl 0.92368(5) 0.59130(5) 0.48032(8) 0.0737(2) Uani 1 1 d . . . . .
Cl07 Cl 0.78110(5) 0.42781(7) 0.53639(8) 0.0808(3) Uani 1 1 d . . . . .
Cl08 Cl 0.42145(5) 0.58330(6) 1.04519(9) 0.0802(3) Uani 1 1 d . . . . .
Cl09 Cl 0.70869(5) 0.60258(7) 1.06773(8) 0.0837(3) Uani 1 1 d . . . . .
Cl0A Cl 0.55946(6) 0.72625(7) 1.14273(9) 0.0962(3) Uani 1 1 d . . . . .
N00B N 0.82572(13) 0.70044(15) 0.80423(18) 0.0536(5) Uani 1 1 d . . . . .
N00C N 0.69022(13) 0.20911(16) 0.74494(18) 0.0534(5) Uani 1 1 d . . . . .
C00D C 0.75166(16) 0.1554(2) 0.7037(2) 0.0592(7) Uani 1 1 d . . . . .
H00Z H 0.729968 0.115646 0.657059 0.071 Uiso 1 1 calc R U . . .
H H 0.783858 0.192598 0.667936 0.071 Uiso 1 1 calc R U . . .
C00E C 0.63466(17) 0.1546(2) 0.7969(2) 0.0621(7) Uani 1 1 d . . . . .
H00 H 0.658715 0.130394 0.854574 0.075 Uiso 1 1 calc R U . . .
HA H 0.595683 0.191348 0.818977 0.075 Uiso 1 1 calc R U . . .
C00F C 0.88439(18) 0.7004(2) 0.7270(3) 0.0675(8) Uani 1 1 d . . . . .
H00A H 0.905333 0.643829 0.723935 0.081 Uiso 1 1 calc R U . . .
H00B H 0.860778 0.712042 0.664004 0.081 Uiso 1 1 calc R U . . .
C00G C 0.65577(17) 0.2552(2) 0.6569(2) 0.0588(7) Uani 1 1 d . . . . .
H1 H 0.693965 0.288171 0.626549 0.071 Uiso 1 1 calc R U . . .
HB H 0.639359 0.212681 0.609791 0.071 Uiso 1 1 calc R U . . .
C00H C 0.85881(19) 0.6827(2) 0.9048(2) 0.0667(8) Uani 1 1 d . . . . .
H00C H 0.887052 0.732141 0.925326 0.080 Uiso 1 1 calc R U . . .
H00D H 0.818902 0.676491 0.949784 0.080 Uiso 1 1 calc R U . . .
C00I C 0.6004(2) 0.0840(2) 0.7390(3) 0.0708(9) Uani 1 1 d . . . . .
H2 H 0.637711 0.043071 0.721561 0.085 Uiso 1 1 calc R U . . .
HC H 0.577876 0.106157 0.679147 0.085 Uiso 1 1 calc R U . . .
C00J C 0.77004(19) 0.6315(2) 0.7783(3) 0.0722(9) Uani 1 1 d . . . . .
H00E H 0.795590 0.577372 0.779406 0.087 Uiso 1 1 calc R U . . .
H00F H 0.734297 0.629766 0.829572 0.087 Uiso 1 1 calc R U . . .
C00K C 0.9458(2) 0.7627(3) 0.7428(3) 0.0829(11) Uani 1 1 d . . . . .
H00G H 0.962205 0.761661 0.810896 0.100 Uiso 1 1 calc R U . . .
H00H H 0.928406 0.819586 0.727670 0.100 Uiso 1 1 calc R U . . .
C00L C 0.79017(18) 0.7875(2) 0.8066(3) 0.0640(8) Uani 1 1 d . . . . .
H00I H 0.827339 0.828519 0.826854 0.077 Uiso 1 1 calc R U . . .
H00J H 0.774079 0.802143 0.740495 0.077 Uiso 1 1 calc R U . . .
C00M C 0.71820(19) 0.2700(2) 0.8240(2) 0.0640(8) Uani 1 1 d . . . . .
H3 H 0.676502 0.301163 0.848393 0.077 Uiso 1 1 calc R U . . .
HD H 0.738617 0.236740 0.877914 0.077 Uiso 1 1 calc R U . . .
C00N C 0.5921(2) 0.3136(3) 0.6754(3) 0.0787(10) Uani 1 1 d . . . . .
H4 H 0.552126 0.281711 0.703041 0.094 Uiso 1 1 calc R U . . .
HE H 0.607171 0.357340 0.721675 0.094 Uiso 1 1 calc R U . . .
C00O C 0.7747(2) 0.3326(2) 0.7941(3) 0.0773(10) Uani 1 1 d . . . . .
H5 H 0.754916 0.369086 0.742674 0.093 Uiso 1 1 calc R U . . .
HF H 0.817384 0.303314 0.769819 0.093 Uiso 1 1 calc R U . . .
C00P C 0.7978(2) 0.1061(2) 0.7765(3) 0.0747(9) Uani 1 1 d . . . . .
H6 H 0.766322 0.071665 0.816669 0.090 Uiso 1 1 calc R U . . .
HG H 0.824944 0.144995 0.818968 0.090 Uiso 1 1 calc R U . . .
C00Q C 0.7264(2) 0.7968(3) 0.8715(4) 0.0982(14) Uani 1 1 d . . . . .
H00K H 0.688137 0.757436 0.850443 0.118 Uiso 1 1 calc R U . . .
H00L H 0.741705 0.781607 0.937732 0.118 Uiso 1 1 calc R U . . .
C00R C 0.7964(3) 0.3858(3) 0.8849(4) 0.0913(12) Uani 1 1 d . . . . .
H7 H 0.830937 0.428814 0.867038 0.137 Uiso 1 1 calc R U . . .
HH H 0.818456 0.349546 0.933945 0.137 Uiso 1 1 calc R U . . .
HI H 0.753374 0.412165 0.910286 0.137 Uiso 1 1 calc R U . . .
C00S C 0.9078(3) 0.6058(3) 0.9152(4) 0.0951(13) Uani 1 1 d . . . . .
H00M H 0.883533 0.557375 0.884501 0.114 Uiso 1 1 calc R U . . .
H00N H 0.953099 0.616041 0.881470 0.114 Uiso 1 1 calc R U . . .
C00T C 0.5421(2) 0.0409(3) 0.8006(3) 0.0877(12) Uani 1 1 d . . . . .
H8 H 0.519517 -0.004452 0.763702 0.132 Uiso 1 1 calc R U . . .
HJ H 0.505449 0.081698 0.817558 0.132 Uiso 1 1 calc R U . . .
HK H 0.564957 0.018320 0.859170 0.132 Uiso 1 1 calc R U . . .
C00U C 0.6693(2) 0.5726(3) 0.6750(4) 0.1035(16) Uani 1 1 d . . . . .
H00O H 0.639664 0.582791 0.617002 0.155 Uiso 1 1 calc R U . . .
H00P H 0.639113 0.575785 0.731296 0.155 Uiso 1 1 calc R U . . .
H00Q H 0.690953 0.517063 0.671452 0.155 Uiso 1 1 calc R U . . .
C00V C 0.8511(2) 0.0492(3) 0.7231(4) 0.0939(13) Uani 1 1 d . . . . .
H9 H 0.824011 0.010695 0.681328 0.141 Uiso 1 1 calc R U . . .
HL H 0.880227 0.017497 0.769919 0.141 Uiso 1 1 calc R U . . .
HM H 0.882719 0.083600 0.684355 0.141 Uiso 1 1 calc R U . . .
C00W C 0.5668(2) 0.3538(3) 0.5805(3) 0.0932(13) Uani 1 1 d . . . . .
H10 H 0.549406 0.310447 0.536233 0.140 Uiso 1 1 calc R U . . .
HN H 0.607108 0.383438 0.552203 0.140 Uiso 1 1 calc R U . . .
HO H 0.527759 0.393075 0.592571 0.140 Uiso 1 1 calc R U . . .
C00X C 0.6958(3) 0.8838(3) 0.8717(4) 0.1055(15) Uani 1 1 d . . . . .
H00R H 0.686303 0.902078 0.805605 0.158 Uiso 1 1 calc R U . . .
H00S H 0.730467 0.921712 0.903022 0.158 Uiso 1 1 calc R U . . .
H00T H 0.650784 0.884217 0.906660 0.158 Uiso 1 1 calc R U . . .
C00Y C 1.0095(2) 0.7411(3) 0.6785(3) 0.0992(15) Uani 1 1 d . . . . .
H00U H 0.992377 0.737935 0.611580 0.149 Uiso 1 1 calc R U . . .
H00V H 1.029885 0.687257 0.698088 0.149 Uiso 1 1 calc R U . . .
H00W H 1.046522 0.784258 0.685057 0.149 Uiso 1 1 calc R U . . .
C00Z C 0.7292(2) 0.6386(3) 0.6831(4) 0.0963(13) Uani 1 1 d . . . . .
H00X H 0.763036 0.631070 0.630144 0.116 Uiso 1 1 calc R U . . .
H00Y H 0.707773 0.694805 0.677033 0.116 Uiso 1 1 calc R U . . .
C010 C 0.9250(4) 0.5858(4) 1.0172(5) 0.137(2) Uani 1 1 d . . . . .
H01A H 0.953860 0.534736 1.020778 0.205 Uiso 1 1 calc R U . . .
H01B H 0.880234 0.577610 1.051412 0.205 Uiso 1 1 calc R U . . .
H01C H 0.952338 0.631758 1.046530 0.205 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Sb01 Cl03 2.4698(8) . ?
Sb01 Cl04 2.3557(8) . ?
Sb01 Cl06 2.8286(8) . ?
Sb01 Cl07 2.4448(9) . ?
Sb02 Cl05 2.3426(9) . ?
Sb02 Cl08 2.7180(9) . ?
Sb02 Cl09 2.5190(9) . ?
Sb02 Cl0A 2.4009(10) . ?
N00B C00F 1.522(4) . ?
N00B C00H 1.512(4) . ?
N00B C00J 1.520(4) . ?
N00B C00L 1.516(4) . ?
N00C C00D 1.522(4) . ?
N00C C00E 1.517(4) . ?
N00C C00G 1.526(4) . ?
N00C C00M 1.523(4) . ?
C00D H00Z 0.9700 . ?
C00D H 0.9700 . ?
C00D C00P 1.501(5) . ?
C00E H00 0.9700 . ?
C00E HA 0.9700 . ?
C00E C00I 1.491(5) . ?
C00F H00A 0.9700 . ?
C00F H00B 0.9700 . ?
C00F C00K 1.499(5) . ?
C00G H1 0.9700 . ?
C00G HB 0.9700 . ?
C00G C00N 1.505(5) . ?
C00H H00C 0.9700 . ?
C00H H00D 0.9700 . ?
C00H C00S 1.508(5) . ?
C00I H2 0.9700 . ?
C00I HC 0.9700 . ?
C00I C00T 1.532(5) . ?
C00J H00E 0.9700 . ?
C00J H00F 0.9700 . ?
C00J C00Z 1.486(6) . ?
C00K H00G 0.9700 . ?
C00K H00H 0.9700 . ?
C00K C00Y 1.512(5) . ?
C00L H00I 0.9700 . ?
C00L H00J 0.9700 . ?
C00L C00Q 1.488(5) . ?
C00M H3 0.9700 . ?
C00M HD 0.9700 . ?
C00M C00O 1.489(5) . ?
C00N H4 0.9700 . ?
C00N HE 0.9700 . ?
C00N C00W 1.504(6) . ?
C00O H5 0.9700 . ?
C00O HF 0.9700 . ?
C00O C00R 1.540(5) . ?
C00P H6 0.9700 . ?
C00P HG 0.9700 . ?
C00P C00V 1.522(6) . ?
C00Q H00K 0.9700 . ?
C00Q H00L 0.9700 . ?
C00Q C00X 1.479(6) . ?
C00R H7 0.9600 . ?
C00R HH 0.9600 . ?
C00R HI 0.9600 . ?
C00S H00M 0.9700 . ?
C00S H00N 0.9700 . ?
C00S C010 1.455(7) . ?
C00T H8 0.9600 . ?
C00T HJ 0.9600 . ?
C00T HK 0.9600 . ?
C00U H00O 0.9600 . ?
C00U H00P 0.9600 . ?
C00U H00Q 0.9600 . ?
C00U C00Z 1.509(6) . ?
C00V H9 0.9600 . ?
C00V HL 0.9600 . ?
C00V HM 0.9600 . ?
C00W H10 0.9600 . ?
C00W HN 0.9600 . ?
C00W HO 0.9600 . ?
C00X H00R 0.9600 . ?
C00X H00S 0.9600 . ?
C00X H00T 0.9600 . ?
C00Y H00U 0.9600 . ?
C00Y H00V 0.9600 . ?
C00Y H00W 0.9600 . ?
C00Z H00X 0.9700 . ?
C00Z H00Y 0.9700 . ?
C010 H01A 0.9600 . ?
C010 H01B 0.9600 . ?
C010 H01C 0.9600 . ?

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
Cl03 Sb01 Cl06 178.38(3) . . ?
Cl04 Sb01 Cl03 91.95(3) . . ?
Cl04 Sb01 Cl06 86.52(3) . . ?
Cl04 Sb01 Cl07 92.50(4) . . ?
Cl07 Sb01 Cl03 89.24(3) . . ?
Cl07 Sb01 Cl06 90.31(3) . . ?
Cl05 Sb02 Cl08 87.64(3) . . ?
Cl05 Sb02 Cl09 90.97(3) . . ?
Cl05 Sb02 Cl0A 93.93(4) . . ?
Cl09 Sb02 Cl08 178.57(3) . . ?
Cl0A Sb02 Cl08 89.18(3) . . ?
Cl0A Sb02 Cl09 91.24(4) . . ?
C00H N00B C00F 111.2(2) . . ?
C00H N00B C00J 109.0(3) . . ?
C00H N00B C00L 107.9(2) . . ?
C00J N00B C00F 108.3(2) . . ?
C00L N00B C00F 108.8(2) . . ?
C00L N00B C00J 111.6(2) . . ?
C00D N00C C00G 105.1(2) . . ?
C00D N00C C00M 112.2(2) . . ?
C00E N00C C00D 111.4(2) . . ?
C00E N00C C00G 111.9(2) . . ?
C00E N00C C00M 103.7(2) . . ?
C00M N00C C00G 112.5(2) . . ?
N00C C00D H00Z 108.2 . . ?
N00C C00D H 108.2 . . ?
H00Z C00D H 107.3 . . ?
C00P C00D N00C 116.4(3) . . ?
C00P C00D H00Z 108.2 . . ?
C00P C00D H 108.2 . . ?
N00C C00E H00 108.2 . . ?
N00C C00E HA 108.2 . . ?
H00 C00E HA 107.3 . . ?
C00I C00E N00C 116.5(3) . . ?
C00I C00E H00 108.2 . . ?
C00I C00E HA 108.2 . . ?
N00B C00F H00A 108.3 . . ?
N00B C00F H00B 108.3 . . ?
H00A C00F H00B 107.4 . . ?
C00K C00F N00B 115.8(3) . . ?
C00K C00F H00A 108.3 . . ?
C00K C00F H00B 108.3 . . ?
N00C C00G H1 108.0 . . ?
N00C C00G HB 108.0 . . ?
H1 C00G HB 107.2 . . ?
C00N C00G N00C 117.3(3) . . ?
C00N C00G H1 108.0 . . ?
C00N C00G HB 108.0 . . ?
N00B C00H H00C 108.0 . . ?
N00B C00H H00D 108.0 . . ?
H00C C00H H00D 107.3 . . ?
C00S C00H N00B 117.0(3) . . ?
C00S C00H H00C 108.0 . . ?
C00S C00H H00D 108.0 . . ?
C00E C00I H2 109.9 . . ?
C00E C00I HC 109.9 . . ?
C00E C00I C00T 108.9(3) . . ?
H2 C00I HC 108.3 . . ?
C00T C00I H2 109.9 . . ?
C00T C00I HC 109.9 . . ?
N00B C00J H00E 107.9 . . ?
N00B C00J H00F 107.9 . . ?
H00E C00J H00F 107.2 . . ?
C00Z C00J N00B 117.7(3) . . ?
C00Z C00J H00E 107.9 . . ?
C00Z C00J H00F 107.9 . . ?
C00F C00K H00G 109.6 . . ?
C00F C00K H00H 109.6 . . ?
C00F C00K C00Y 110.4(3) . . ?
H00G C00K H00H 108.1 . . ?
C00Y C00K H00G 109.6 . . ?
C00Y C00K H00H 109.6 . . ?
N00B C00L H00I 108.2 . . ?
N00B C00L H00J 108.2 . . ?
H00I C00L H00J 107.4 . . ?
C00Q C00L N00B 116.2(3) . . ?
C00Q C00L H00I 108.2 . . ?
C00Q C00L H00J 108.2 . . ?
N00C C00M H3 108.2 . . ?
N00C C00M HD 108.2 . . ?
H3 C00M HD 107.4 . . ?
C00O C00M N00C 116.2(3) . . ?
C00O C00M H3 108.2 . . ?
C00O C00M HD 108.2 . . ?
C00G C00N H4 109.8 . . ?
C00G C00N HE 109.8 . . ?
H4 C00N HE 108.3 . . ?
C00W C00N C00G 109.3(3) . . ?
C00W C00N H4 109.8 . . ?
C00W C00N HE 109.8 . . ?
C00M C00O H5 110.2 . . ?
C00M C00O HF 110.2 . . ?
C00M C00O C00R 107.6(3) . . ?
H5 C00O HF 108.5 . . ?
C00R C00O H5 110.2 . . ?
C00R C00O HF 110.2 . . ?
C00D C00P H6 109.7 . . ?
C00D C00P HG 109.7 . . ?
C00D C00P C00V 109.8(3) . . ?
H6 C00P HG 108.2 . . ?
C00V C00P H6 109.7 . . ?
C00V C00P HG 109.7 . . ?
C00L C00Q H00K 109.0 . . ?
C00L C00Q H00L 109.0 . . ?
H00K C00Q H00L 107.8 . . ?
C00X C00Q C00L 113.1(4) . . ?
C00X C00Q H00K 109.0 . . ?
C00X C00Q H00L 109.0 . . ?
C00O C00R H7 109.5 . . ?
C00O C00R HH 109.5 . . ?
C00O C00R HI 109.5 . . ?
H7 C00R HH 109.5 . . ?
H7 C00R HI 109.5 . . ?
HH C00R HI 109.5 . . ?
C00H C00S H00M 109.2 . . ?
C00H C00S H00N 109.2 . . ?
H00M C00S H00N 107.9 . . ?
C010 C00S C00H 112.1(4) . . ?
C010 C00S H00M 109.2 . . ?
C010 C00S H00N 109.2 . . ?
C00I C00T H8 109.5 . . ?
C00I C00T HJ 109.5 . . ?
C00I C00T HK 109.5 . . ?
H8 C00T HJ 109.5 . . ?
H8 C00T HK 109.5 . . ?
HJ C00T HK 109.5 . . ?
H00O C00U H00P 109.5 . . ?
H00O C00U H00Q 109.5 . . ?
H00P C00U H00Q 109.5 . . ?
C00Z C00U H00O 109.5 . . ?
C00Z C00U H00P 109.5 . . ?
C00Z C00U H00Q 109.5 . . ?
C00P C00V H9 109.5 . . ?
C00P C00V HL 109.5 . . ?
C00P C00V HM 109.5 . . ?
H9 C00V HL 109.5 . . ?
H9 C00V HM 109.5 . . ?
HL C00V HM 109.5 . . ?
C00N C00W H10 109.5 . . ?
C00N C00W HN 109.5 . . ?
C00N C00W HO 109.5 . . ?
H10 C00W HN 109.5 . . ?
H10 C00W HO 109.5 . . ?
HN C00W HO 109.5 . . ?
C00Q C00X H00R 109.5 . . ?
C00Q C00X H00S 109.5 . . ?
C00Q C00X H00T 109.5 . . ?
H00R C00X H00S 109.5 . . ?
H00R C00X H00T 109.5 . . ?
H00S C00X H00T 109.5 . . ?
C00K C00Y H00U 109.5 . . ?
C00K C00Y H00V 109.5 . . ?
C00K C00Y H00W 109.5 . . ?
H00U C00Y H00V 109.5 . . ?
H00U C00Y H00W 109.5 . . ?
H00V C00Y H00W 109.5 . . ?
C00J C00Z C00U 110.8(4) . . ?
C00J C00Z H00X 109.5 . . ?
C00J C00Z H00Y 109.5 . . ?
C00U C00Z H00X 109.5 . . ?
C00U C00Z H00Y 109.5 . . ?
H00X C00Z H00Y 108.1 . . ?
C00S C010 H01A 109.5 . . ?
C00S C010 H01B 109.5 . . ?
C00S C010 H01C 109.5 . . ?
H01A C010 H01B 109.5 . . ?
H01A C010 H01C 109.5 . . ?
H01B C010 H01C 109.5 . . ?

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
N00B C00F C00K C00Y 164.9(4) . . . . ?
N00B C00H C00S C010 -169.1(4) . . . . ?
N00B C00J C00Z C00U -172.1(3) . . . . ?
N00B C00L C00Q C00X 178.6(4) . . . . ?
N00C C00D C00P C00V 174.2(3) . . . . ?
N00C C00E C00I C00T -175.8(3) . . . . ?
N00C C00G C00N C00W 179.1(3) . . . . ?
N00C C00M C00O C00R -178.6(3) . . . . ?
C00D N00C C00E C00I -55.3(4) . . . . ?
C00D N00C C00G C00N 179.7(3) . . . . ?
C00D N00C C00M C00O 59.5(4) . . . . ?
C00E N00C C00D C00P -61.5(4) . . . . ?
C00E N00C C00G C00N 58.5(4) . . . . ?
C00E N00C C00M C00O 179.9(3) . . . . ?
C00F N00B C00H C00S -51.0(4) . . . . ?
C00F N00B C00J C00Z -60.7(4) . . . . ?
C00F N00B C00L C00Q 174.4(3) . . . . ?
C00G N00C C00D C00P 177.0(3) . . . . ?
C00G N00C C00E C00I 62.1(4) . . . . ?
C00G N00C C00M C00O -58.9(4) . . . . ?
C00H N00B C00F C00K -58.1(4) . . . . ?
C00H N00B C00J C00Z 178.1(3) . . . . ?
C00H N00B C00L C00Q -64.8(4) . . . . ?
C00J N00B C00F C00K -177.9(3) . . . . ?
C00J N00B C00H C00S 68.3(4) . . . . ?
C00J N00B C00L C00Q 55.0(4) . . . . ?
C00L N00B C00F C00K 60.6(4) . . . . ?
C00L N00B C00H C00S -170.3(3) . . . . ?
C00L N00B C00J C00Z 59.0(4) . . . . ?
C00M N00C C00D C00P 54.4(4) . . . . ?
C00M N00C C00E C00I -176.3(3) . . . . ?
C00M N00C C00G C00N -57.9(4) . . . . ?

_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 3.132
_oxdiff_exptl_absorpt_empirical_full_min 0.450
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ht-1
_database_code_depnum_ccdc_archive 'CCDC 2443374'
loop_
_audit_author_name
_audit_author_address
'T H'
;Guangxi university
China
;
_audit_update_record             
;
2025-04-13 deposited with the CCDC.	2026-01-13 downloaded from the CCDC.
;
_audit_creation_date             2024-10-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        C19H18Cl4PSb
_chemical_formula_moiety         'Cl4 Sb, C19 H18 P'
_chemical_formula_sum            'C19 H18 Cl4 P Sb'
_chemical_formula_weight         540.85
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.8726(3)
_cell_length_b                   17.8886(4)
_cell_length_c                   12.0972(3)
_cell_angle_alpha                90
_cell_angle_beta                 115.0220(10)
_cell_angle_gamma                90
_cell_volume                     2132.03(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9141
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.36
_shelx_estimated_absorpt_T_max   0.7457
_shelx_estimated_absorpt_T_min   0.6451
_exptl_absorpt_coefficient_mu    1.871
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6451
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0678 before and 0.0576 after correction.
The Ratio of minimum to maximum transmission is 0.8651.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.685
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0510
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            52676
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.307
_diffrn_reflns_theta_min         2.277
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4648
_reflns_number_total             5274
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.355
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       0.0030(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5274
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0260
_refine_ls_R_factor_gt           0.0208
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0214P)²+0.5510P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0483
_refine_ls_wR_factor_ref         0.0502
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.14067(2) 0.58173(2) 0.12574(2) 0.03929(6) Uani 1 1 d . . . . .
Cl1 Cl -0.13800(5) 0.55195(3) 0.03420(5) 0.05616(12) Uani 1 1 d . . . . .
Cl2 Cl 0.11759(6) 0.67747(3) 0.25619(5) 0.06392(14) Uani 1 1 d . . . . .
Cl3 Cl 0.38755(5) 0.60868(4) 0.20166(5) 0.06576(15) Uani 1 1 d . . . . .
Cl4 Cl 0.10000(5) 0.66443(3) -0.03822(4) 0.05046(11) Uani 1 1 d . . . . .
P1 P 0.43138(4) 0.30580(3) 0.35017(4) 0.03875(10) Uani 1 1 d . . . . .
C1 C 0.5645(3) 0.44568(14) 0.1620(2) 0.0605(5) Uani 1 1 d . . . . .
H1 H 0.540(3) 0.4845(16) 0.122(2) 0.086(9) Uiso 1 1 d . . . . .
C2 C 0.6900(3) 0.41859(13) 0.1847(2) 0.0628(6) Uani 1 1 d . . . . .
H2 H 0.743(3) 0.4391(14) 0.153(2) 0.069(7) Uiso 1 1 d . . . . .
C3 C 0.7396(2) 0.35743(13) 0.2589(3) 0.0645(6) Uani 1 1 d . . . . .
H3 H 0.825(3) 0.3369(13) 0.272(2) 0.073(7) Uiso 1 1 d . . . . .
C4 C 0.6633(2) 0.32289(12) 0.3104(2) 0.0540(5) Uani 1 1 d . . . . .
H4 H 0.696(2) 0.2804(13) 0.359(2) 0.065(7) Uiso 1 1 d . . . . .
C5 C 0.53550(17) 0.35015(10) 0.28756(15) 0.0395(4) Uani 1 1 d . . . . .
C6 C 0.4859(2) 0.41196(11) 0.21274(18) 0.0505(5) Uani 1 1 d . . . . .
H6 H 0.405(2) 0.4319(12) 0.199(2) 0.060(6) Uiso 1 1 d . . . . .
C7 C 0.2574(2) 0.26010(11) 0.11950(17) 0.0471(4) Uani 1 1 d . . . . .
H7 H 0.285(2) 0.3049(12) 0.0941(19) 0.054(6) Uiso 1 1 d . . . . .
C8 C 0.1574(2) 0.21494(13) 0.0378(2) 0.0570(5) Uani 1 1 d . . . . .
H8 H 0.119(2) 0.2280(13) -0.040(2) 0.064(7) Uiso 1 1 d . . . . .
C9 C 0.1181(2) 0.15170(14) 0.0778(3) 0.0668(6) Uani 1 1 d . . . . .
H9 H 0.048(3) 0.1245(16) 0.018(3) 0.088(9) Uiso 1 1 d . . . . .
C10 C 0.1772(3) 0.13219(14) 0.1983(3) 0.0686(6) Uani 1 1 d . . . . .
H10 H 0.149(3) 0.0910(15) 0.223(3) 0.083(9) Uiso 1 1 d . . . . .
C11 C 0.2770(2) 0.17687(12) 0.2818(2) 0.0556(5) Uani 1 1 d . . . . .
H11 H 0.323(2) 0.1638(13) 0.368(2) 0.063(7) Uiso 1 1 d . . . . .
C12 C 0.3913(2) 0.42097(13) 0.4837(2) 0.0581(5) Uani 1 1 d . . . . .
H12 H 0.477(3) 0.4094(13) 0.535(2) 0.070(8) Uiso 1 1 d . . . . .
C13 C 0.3163(3) 0.47715(15) 0.5035(2) 0.0715(7) Uani 1 1 d . . . . .
H13 H 0.358(3) 0.5028(16) 0.571(3) 0.090(9) Uiso 1 1 d . . . . .
C14 C 0.1847(3) 0.49035(13) 0.4219(2) 0.0650(6) Uani 1 1 d . . . . .
H14 H 0.139(3) 0.5343(16) 0.443(2) 0.086(8) Uiso 1 1 d . . . . .
C15 C 0.1254(2) 0.44645(13) 0.3204(2) 0.0559(5) Uani 1 1 d . . . . .
H15 H 0.038(3) 0.4532(14) 0.269(2) 0.070(7) Uiso 1 1 d . . . . .
C16 C 0.1984(2) 0.38947(12) 0.29897(17) 0.0470(4) Uani 1 1 d . . . . .
H16 H 0.162(2) 0.3592(12) 0.231(2) 0.058(6) Uiso 1 1 d . . . . .
C17 C 0.33186(18) 0.37664(10) 0.38009(14) 0.0402(4) Uani 1 1 d . . . . .
C18 C 0.31689(17) 0.24133(10) 0.24255(16) 0.0414(4) Uani 1 1 d . . . . .
C19 C 0.5365(2) 0.25933(15) 0.4889(2) 0.0584(5) Uani 1 1 d . . . . .
H19A H 0.604(3) 0.2944(15) 0.543(2) 0.084(8) Uiso 1 1 d . . . . .
H19B H 0.578(3) 0.2185(14) 0.474(2) 0.068(7) Uiso 1 1 d . . . . .
H19C H 0.484(3) 0.2440(14) 0.528(2) 0.074(8) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 2.8021(5) . ?
Sb1 Cl2 2.4127(5) . ?
Sb1 Cl3 2.4891(5) . ?
Sb1 Cl4 2.3615(5) . ?
P1 C5 1.7916(18) . ?
P1 C17 1.7997(19) . ?
P1 C18 1.7899(18) . ?
P1 C19 1.787(2) . ?
C1 H1 0.82(3) . ?
C1 C2 1.362(3) . ?
C1 C6 1.384(3) . ?
C2 H2 0.90(3) . ?
C2 C3 1.372(3) . ?
C3 H3 0.95(3) . ?
C3 C4 1.377(3) . ?
C4 H4 0.94(2) . ?
C4 C5 1.386(3) . ?
C5 C6 1.386(3) . ?
C6 H6 0.90(2) . ?
C7 H7 0.95(2) . ?
C7 C8 1.379(3) . ?
C7 C18 1.390(3) . ?
C8 H8 0.89(2) . ?
C8 C9 1.368(4) . ?
C9 H9 0.94(3) . ?
C9 C10 1.367(4) . ?
C10 H10 0.90(3) . ?
C10 C11 1.382(3) . ?
C11 H11 0.98(2) . ?
C11 C18 1.385(3) . ?
C12 H12 0.89(3) . ?
C12 C13 1.378(3) . ?
C12 C17 1.390(3) . ?
C13 H13 0.88(3) . ?
C13 C14 1.372(4) . ?
C14 H14 1.02(3) . ?
C14 C15 1.368(3) . ?
C15 H15 0.90(2) . ?
C15 C16 1.382(3) . ?
C16 H16 0.93(2) . ?
C16 C17 1.384(3) . ?
C19 H19A 0.98(3) . ?
C19 H19B 0.91(3) . ?
C19 H19C 0.92(3) . ?

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 89.956(18) . . ?
Cl2 Sb1 Cl3 90.89(2) . . ?
Cl3 Sb1 Cl1 178.545(18) . . ?
Cl4 Sb1 Cl1 90.007(17) . . ?
Cl4 Sb1 Cl2 94.03(2) . . ?
Cl4 Sb1 Cl3 88.749(18) . . ?
C5 P1 C17 108.32(8) . . ?
C18 P1 C5 110.31(8) . . ?
C18 P1 C17 107.92(8) . . ?
C19 P1 C5 109.63(11) . . ?
C19 P1 C17 109.79(11) . . ?
C19 P1 C18 110.81(11) . . ?
C2 C1 H1 118(2) . . ?
C2 C1 C6 120.6(2) . . ?
C6 C1 H1 121(2) . . ?
C1 C2 H2 122.7(16) . . ?
C1 C2 C3 119.9(2) . . ?
C3 C2 H2 117.4(16) . . ?
C2 C3 H3 120.2(15) . . ?
C2 C3 C4 120.5(2) . . ?
C4 C3 H3 119.2(15) . . ?
C3 C4 H4 120.6(15) . . ?
C3 C4 C5 119.8(2) . . ?
C5 C4 H4 119.5(15) . . ?
C4 C5 P1 121.32(14) . . ?
C6 C5 P1 119.27(14) . . ?
C6 C5 C4 119.40(18) . . ?
C1 C6 C5 119.7(2) . . ?
C1 C6 H6 119.1(15) . . ?
C5 C6 H6 121.2(15) . . ?
C8 C7 H7 121.4(13) . . ?
C8 C7 C18 119.6(2) . . ?
C18 C7 H7 118.9(13) . . ?
C7 C8 H8 118.9(16) . . ?
C9 C8 C7 120.0(2) . . ?
C9 C8 H8 121.1(16) . . ?
C8 C9 H9 115.4(17) . . ?
C10 C9 C8 120.8(2) . . ?
C10 C9 H9 123.8(17) . . ?
C9 C10 H10 119.6(19) . . ?
C9 C10 C11 120.1(2) . . ?
C11 C10 H10 120.2(19) . . ?
C10 C11 H11 122.3(14) . . ?
C10 C11 C18 119.6(2) . . ?
C18 C11 H11 118.1(14) . . ?
C13 C12 H12 124.5(16) . . ?
C13 C12 C17 119.3(2) . . ?
C17 C12 H12 116.1(16) . . ?
C12 C13 H13 115.4(19) . . ?
C14 C13 C12 120.9(2) . . ?
C14 C13 H13 123.6(19) . . ?
C13 C14 H14 115.1(15) . . ?
C15 C14 C13 120.0(2) . . ?
C15 C14 H14 124.9(16) . . ?
C14 C15 H15 120.2(16) . . ?
C14 C15 C16 120.1(2) . . ?
C16 C15 H15 119.6(16) . . ?
C15 C16 H16 122.3(14) . . ?
C15 C16 C17 120.15(19) . . ?
C17 C16 H16 117.5(14) . . ?
C12 C17 P1 119.55(15) . . ?
C16 C17 P1 120.88(14) . . ?
C16 C17 C12 119.53(19) . . ?
C7 C18 P1 119.25(14) . . ?
C11 C18 P1 120.61(15) . . ?
C11 C18 C7 119.83(18) . . ?
P1 C19 H19A 109.4(16) . . ?
P1 C19 H19B 111.0(15) . . ?
P1 C19 H19C 109.6(16) . . ?
H19A C19 H19B 111(2) . . ?
H19A C19 H19C 107(2) . . ?
H19B C19 H19C 109(2) . . ?

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
P1 C5 C6 C1 -178.70(17) . . . . ?
C1 C2 C3 C4 0.2(4) . . . . ?
C2 C1 C6 C5 0.1(4) . . . . ?
C2 C3 C4 C5 -0.2(4) . . . . ?
C3 C4 C5 P1 178.72(18) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C4 C5 C6 C1 -0.1(3) . . . . ?
C5 P1 C17 C12 -78.66(17) . . . . ?
C5 P1 C17 C16 98.89(16) . . . . ?
C5 P1 C18 C7 -38.70(17) . . . . ?
C5 P1 C18 C11 147.74(16) . . . . ?
C6 C1 C2 C3 -0.2(4) . . . . ?
C7 C8 C9 C10 -0.3(4) . . . . ?
C8 C7 C18 P1 -172.49(15) . . . . ?
C8 C7 C18 C11 1.1(3) . . . . ?
C8 C9 C10 C11 0.7(4) . . . . ?
C9 C10 C11 C18 -0.2(4) . . . . ?
C10 C11 C18 P1 172.81(18) . . . . ?
C10 C11 C18 C7 -0.7(3) . . . . ?
C12 C13 C14 C15 1.3(4) . . . . ?
C13 C12 C17 P1 177.34(18) . . . . ?
C13 C12 C17 C16 -0.2(3) . . . . ?
C13 C14 C15 C16 -0.9(4) . . . . ?
C14 C15 C16 C17 -0.1(3) . . . . ?
C15 C16 C17 P1 -176.89(16) . . . . ?
C15 C16 C17 C12 0.7(3) . . . . ?
C17 P1 C5 C4 147.22(16) . . . . ?
C17 P1 C5 C6 -34.19(17) . . . . ?
C17 P1 C18 C7 79.46(16) . . . . ?
C17 P1 C18 C11 -94.10(17) . . . . ?
C17 C12 C13 C14 -0.7(4) . . . . ?
C18 P1 C5 C4 -94.86(17) . . . . ?
C18 P1 C5 C6 83.73(16) . . . . ?
C18 P1 C17 C12 161.90(16) . . . . ?
C18 P1 C17 C16 -20.55(18) . . . . ?
C18 C7 C8 C9 -0.6(3) . . . . ?
C19 P1 C5 C4 27.4(2) . . . . ?
C19 P1 C5 C6 -153.98(17) . . . . ?
C19 P1 C17 C12 41.02(19) . . . . ?
C19 P1 C17 C16 -141.43(17) . . . . ?
C19 P1 C18 C7 -160.30(16) . . . . ?
C19 P1 C18 C11 26.1(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mo_241015ht2_0m
_database_code_depnum_ccdc_archive 'CCDC 2443373'
loop_
_audit_author_name
_audit_author_address
'T H'
;Guangxi university
China
;
_audit_update_record             
;
2025-04-13 deposited with the CCDC.	2026-01-13 downloaded from the CCDC.
;
_audit_creation_date             2024-10-18
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        C19H34Cl4NSb
_chemical_formula_moiety         'Cl4 Sb, C19 H34 N'
_chemical_formula_sum            'C19 H34 Cl4 N Sb'
_chemical_formula_weight         540.02
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3132(3)
_cell_length_b                   14.4255(4)
_cell_length_c                   16.6030(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.5680(11)
_cell_angle_gamma                90
_cell_volume                     2465.29(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.94
_cell_measurement_theta_min      2.67
_shelx_estimated_absorpt_T_max   0.746
_shelx_estimated_absorpt_T_min   0.510
_exptl_absorpt_coefficient_mu    1.556
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5955
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0943 before and 0.0605 after correction.
The Ratio of minimum to maximum transmission is 0.7986.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.455
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   0.7457
_exptl_transmission_factor_min   0.5955
_diffrn_reflns_av_R_equivalents  0.0570
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            62745
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.305
_diffrn_reflns_theta_min         2.393
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9206
_reflns_number_total             12083
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS  (Sheldrick, 2008)'
_refine_diff_density_max         0.648
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.053
_refine_ls_extinction_coef       0.0080(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     458
_refine_ls_number_reflns         12083
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0352
_refine_ls_restrained_S_all      1.050
_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)+(0.0266P)²+1.2769P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0846
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C14(H14A,H14B), C19(H19A,H19B), C20(H20A,H20B), C22(H22A,
 H22B), C26(H26A,H26B), C29(H29A,H29B), C33(H33A,H33B), C40(H40A,H40B),
 C41(H41A,H41B), C11(H11A,H11B), C13(H13A,H13B), C15(H15A,H15B), C16(H16A,H16B),
  C17(H17A,H17B), C23(H23A,H23B), C25(H25A,H25B), C30(H30A,H30B), C35(H35A,
 H35B), C44(H44A,H44B)
1.b Aromatic/amide H refined with riding coordinates:
 C27(H27), C46(H46), C52(H52), C60(H60), C84(H84), C24(H24), C42(H42),
 C47(H47), C57(H57), C66(H66)
1.c Idealised Me refined as rotating group:
 C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C78(H78A,H78B,H78C), C38(H38A,H38B,
 H38C), C61(H61A,H61B,H61C), C67(H67A,H67B,H67C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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 0.02575(2) 0.48649(2) 0.12472(2) 0.05419(7) Uani 1 1 d . . . . .
Cl3 Cl -0.19221(7) 0.52127(6) 0.01597(5) 0.0690(2) Uani 1 1 d . . . . .
Cl2 Cl -0.02549(9) 0.33010(6) 0.10132(7) 0.0840(3) Uani 1 1 d . . . . .
Cl1 Cl 0.21823(11) 0.44139(11) 0.20935(7) 0.1235(5) Uani 1 1 d . . . . .
Cl5 Cl -0.10903(13) 0.49735(11) 0.23804(7) 0.1285(5) Uani 1 1 d . . . . .
N9 N 0.5058(2) 0.68527(15) 0.10105(14) 0.0510(5) Uani 1 1 d . . . . .
C12 C 0.4762(3) 0.64298(18) 0.01784(17) 0.0527(6) Uani 1 1 d . . . . .
H12A H 0.556642 0.618481 -0.000757 0.063 Uiso 1 1 calc R U . . .
H12B H 0.418138 0.590859 0.023822 0.063 Uiso 1 1 calc R U . . .
C14 C 0.4161(3) 0.7056(2) -0.04779(18) 0.0563(7) Uani 1 1 d . . . . .
H14A H 0.327471 0.720510 -0.036135 0.068 Uiso 1 1 calc R U . . .
H14B H 0.464866 0.762941 -0.049306 0.068 Uiso 1 1 calc R U . . .
C19 C 0.5130(3) 0.60502(19) 0.16013(18) 0.0571(7) Uani 1 1 d . . . . .
H19A H 0.429969 0.573193 0.156171 0.069 Uiso 1 1 calc R U . . .
H19B H 0.577814 0.561720 0.143092 0.069 Uiso 1 1 calc R U . . .
C20 C 0.4034(3) 0.7553(2) 0.12147(19) 0.0594(7) Uani 1 1 d . . . . .
H20A H 0.401339 0.804287 0.081420 0.071 Uiso 1 1 calc R U . . .
H20B H 0.428906 0.782912 0.173306 0.071 Uiso 1 1 calc R U . . .
C21 C 0.6645(3) 0.8006(2) 0.0404(2) 0.0615(8) Uani 1 1 d . . . . .
C22 C 0.6405(3) 0.7324(2) 0.1064(2) 0.0616(7) Uani 1 1 d . . . . .
H22A H 0.651570 0.764222 0.157775 0.074 Uiso 1 1 calc R U . . .
H22B H 0.706441 0.684441 0.105963 0.074 Uiso 1 1 calc R U . . .
C26 C 0.4169(3) 0.6574(2) -0.12876(19) 0.0677(8) Uani 1 1 d . . . . .
H26A H 0.505884 0.643185 -0.140044 0.081 Uiso 1 1 calc R U . . .
H26B H 0.369980 0.599341 -0.126177 0.081 Uiso 1 1 calc R U . . .
C27 C 0.7203(3) 0.7710(2) -0.0286(2) 0.0756(9) Uani 1 1 d . . . . .
H27 H 0.746615 0.709652 -0.033030 0.091 Uiso 1 1 calc R U . . .
C29 C 0.2675(3) 0.7160(2) 0.1251(2) 0.0688(8) Uani 1 1 d . . . . .
H29A H 0.258269 0.686910 0.177102 0.083 Uiso 1 1 calc R U . . .
H29B H 0.252387 0.669311 0.083507 0.083 Uiso 1 1 calc R U . . .
C33 C 0.1655(3) 0.7964(3) 0.1122(3) 0.0926(12) Uani 1 1 d . . . . .
H33A H 0.182903 0.843461 0.153175 0.111 Uiso 1 1 calc R U . . .
H33B H 0.175334 0.824838 0.059954 0.111 Uiso 1 1 calc R U . . .
C40 C 0.5450(4) 0.6282(2) 0.2475(2) 0.0729(9) Uani 1 1 d . . . . .
H40A H 0.630257 0.656653 0.253191 0.087 Uiso 1 1 calc R U . . .
H40B H 0.482241 0.672544 0.265393 0.087 Uiso 1 1 calc R U . . .
C41 C 0.5436(4) 0.5432(3) 0.2998(2) 0.0775(9) Uani 1 1 d . . . . .
H41A H 0.603381 0.497984 0.279888 0.093 Uiso 1 1 calc R U . . .
H41B H 0.457234 0.516310 0.295166 0.093 Uiso 1 1 calc R U . . .
C46 C 0.6347(3) 0.8937(2) 0.0487(3) 0.0791(10) Uani 1 1 d . . . . .
H46 H 0.602058 0.915515 0.096084 0.095 Uiso 1 1 calc R U . . .
C52 C 0.7021(4) 0.9227(4) -0.0847(3) 0.1106(16) Uani 1 1 d . . . . .
H52 H 0.710929 0.962864 -0.127826 0.133 Uiso 1 1 calc R U . . .
C53 C 0.5802(5) 0.5619(3) 0.3873(2) 0.1027(13) Uani 1 1 d . . . . .
H53A H 0.668209 0.583827 0.392958 0.154 Uiso 1 1 calc R U . . .
H53B H 0.572728 0.505730 0.417677 0.154 Uiso 1 1 calc R U . . .
H53C H 0.523196 0.608015 0.407134 0.154 Uiso 1 1 calc R U . . .
C54 C 0.3561(4) 0.7155(3) -0.1969(2) 0.0929(12) Uani 1 1 d . . . . .
H54A H 0.359923 0.682403 -0.246818 0.139 Uiso 1 1 calc R U . . .
H54B H 0.402574 0.772878 -0.200038 0.139 Uiso 1 1 calc R U . . .
H54C H 0.267030 0.728034 -0.186951 0.139 Uiso 1 1 calc R U . . .
C60 C 0.6541(4) 0.9544(3) -0.0151(3) 0.1001(14) Uani 1 1 d . . . . .
H60 H 0.634200 1.016938 -0.010076 0.120 Uiso 1 1 calc R U . . .
C78 C 0.0307(4) 0.7635(4) 0.1162(3) 0.1209(17) Uani 1 1 d . . . . .
H78A H 0.010723 0.720624 0.072952 0.181 Uiso 1 1 calc R U . . .
H78B H -0.027639 0.815333 0.111199 0.181 Uiso 1 1 calc R U . . .
H78C H 0.021319 0.733168 0.166922 0.181 Uiso 1 1 calc R U . . .
C84 C 0.7371(4) 0.8321(3) -0.0907(3) 0.0988(13) Uani 1 1 d . . . . .
H84 H 0.772864 0.811237 -0.137462 0.119 Uiso 1 1 calc R U . . .
Sb2 Sb 0.47423(2) 0.98650(2) 0.37527(2) 0.05417(7) Uani 1 1 d . . . . .
Cl4 Cl 0.69221(7) 1.02123(6) 0.48410(5) 0.0693(2) Uani 1 1 d . . . . .
Cl6 Cl 0.52550(9) 0.83017(6) 0.39882(7) 0.0842(3) Uani 1 1 d . . . . .
Cl7 Cl 0.28183(11) 0.94145(11) 0.29071(7) 0.1237(5) Uani 1 1 d . . . . .
Cl8 Cl 0.60927(13) 0.99751(11) 0.26211(7) 0.1284(5) Uani 1 1 d . . . . .
N10 N -0.0060(2) 1.18527(15) 0.39925(14) 0.0510(5) Uani 1 1 d . . . . .
C11 C 0.0234(3) 1.14307(19) 0.48213(17) 0.0536(6) Uani 1 1 d . . . . .
H11A H -0.057143 1.118759 0.500753 0.064 Uiso 1 1 calc R U . . .
H11B H 0.081184 1.090802 0.476094 0.064 Uiso 1 1 calc R U . . .
C13 C 0.0838(3) 1.2053(2) 0.54763(18) 0.0568(7) Uani 1 1 d . . . . .
H13A H 0.035320 1.262835 0.549150 0.068 Uiso 1 1 calc R U . . .
H13B H 0.172448 1.219981 0.535962 0.068 Uiso 1 1 calc R U . . .
C15 C -0.0130(3) 1.10501(19) 0.33981(17) 0.0573(7) Uani 1 1 d . . . . .
H15A H 0.070009 1.073216 0.343801 0.069 Uiso 1 1 calc R U . . .
H15B H -0.077846 1.061625 0.356737 0.069 Uiso 1 1 calc R U . . .
C16 C 0.2330(3) 1.2159(2) 0.3749(2) 0.0677(8) Uani 1 1 d . . . . .
H16A H 0.242262 1.186896 0.322881 0.081 Uiso 1 1 calc R U . . .
H16B H 0.248000 1.169107 0.416445 0.081 Uiso 1 1 calc R U . . .
C17 C 0.0967(3) 1.2552(2) 0.37854(19) 0.0602(7) Uani 1 1 d . . . . .
H17A H 0.098811 1.304409 0.418449 0.072 Uiso 1 1 calc R U . . .
H17B H 0.071115 1.282707 0.326639 0.072 Uiso 1 1 calc R U . . .
C18 C -0.1646(3) 1.3005(2) 0.4599(2) 0.0628(8) Uani 1 1 d . . . . .
C23 C -0.1407(3) 1.2323(2) 0.3936(2) 0.0622(7) Uani 1 1 d . . . . .
H23A H -0.151540 1.264317 0.342282 0.075 Uiso 1 1 calc R U . . .
H23B H -0.206724 1.184392 0.393838 0.075 Uiso 1 1 calc R U . . .
C24 C -0.2204(3) 1.2710(2) 0.5288(2) 0.0754(9) Uani 1 1 d . . . . .
H24 H -0.246610 1.209641 0.533294 0.091 Uiso 1 1 calc R U . . .
C25 C 0.0827(3) 1.1571(2) 0.62891(19) 0.0681(8) Uani 1 1 d . . . . .
H25A H -0.006290 1.142909 0.640254 0.082 Uiso 1 1 calc R U . . .
H25B H 0.129667 1.098972 0.626530 0.082 Uiso 1 1 calc R U . . .
C30 C -0.0448(3) 1.1281(2) 0.2527(2) 0.0722(8) Uani 1 1 d . . . . .
H30A H 0.018117 1.172400 0.234865 0.087 Uiso 1 1 calc R U . . .
H30B H -0.129943 1.156713 0.246991 0.087 Uiso 1 1 calc R U . . .
C35 C 0.3345(3) 1.2959(3) 0.3880(3) 0.0932(13) Uani 1 1 d . . . . .
H35A H 0.317290 1.342899 0.346919 0.112 Uiso 1 1 calc R U . . .
H35B H 0.324326 1.324333 0.440130 0.112 Uiso 1 1 calc R U . . .
C38 C -0.0799(5) 1.0611(3) 0.1129(2) 0.1034(13) Uani 1 1 d . . . . .
H38A H -0.071200 1.004862 0.082733 0.155 Uiso 1 1 calc R U . . .
H38B H -0.023509 1.107619 0.092953 0.155 Uiso 1 1 calc R U . . .
H38C H -0.168218 1.082241 0.106868 0.155 Uiso 1 1 calc R U . . .
C42 C -0.2373(4) 1.3323(3) 0.5909(3) 0.0987(13) Uani 1 1 d . . . . .
H42 H -0.272995 1.311454 0.637668 0.118 Uiso 1 1 calc R U . . .
C44 C -0.0436(4) 1.0432(3) 0.2002(2) 0.0791(9) Uani 1 1 d . . . . .
H44A H 0.042673 1.016231 0.204911 0.095 Uiso 1 1 calc R U . . .
H44B H -0.103459 0.998076 0.220135 0.095 Uiso 1 1 calc R U . . .
C47 C -0.1343(3) 1.3941(2) 0.4516(3) 0.0782(10) Uani 1 1 d . . . . .
H47 H -0.101269 1.415773 0.404226 0.094 Uiso 1 1 calc R U . . .
C57 C -0.2027(4) 1.4227(4) 0.5846(4) 0.1111(16) Uani 1 1 d . . . . .
H57 H -0.211845 1.462929 0.627640 0.133 Uiso 1 1 calc R U . . .
C61 C 0.1437(4) 1.2158(3) 0.6966(2) 0.0938(12) Uani 1 1 d . . . . .
H61A H 0.231723 1.230106 0.685586 0.141 Uiso 1 1 calc R U . . .
H61B H 0.142800 1.182198 0.746519 0.141 Uiso 1 1 calc R U . . .
H61C H 0.095227 1.272195 0.700735 0.141 Uiso 1 1 calc R U . . .
C66 C -0.1540(4) 1.4546(3) 0.5146(4) 0.1030(15) Uani 1 1 d . . . . .
H66 H -0.134167 1.517146 0.509454 0.124 Uiso 1 1 calc R U . . .
C67 C 0.4682(4) 1.2635(4) 0.3844(3) 0.1209(17) Uani 1 1 d . . . . .
H67A H 0.479299 1.236165 0.332517 0.181 Uiso 1 1 calc R U . . .
H67B H 0.486589 1.218112 0.425798 0.181 Uiso 1 1 calc R U . . .
H67C H 0.526679 1.314928 0.392395 0.181 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Cl3 2.8389(8) . ?
Sb1 Cl2 2.3440(9) . ?
Sb1 Cl1 2.4476(10) . ?
Sb1 Cl5 2.4129(10) . ?
N9 C12 1.524(3) . ?
N9 C19 1.516(4) . ?
N9 C20 1.514(3) . ?
N9 C22 1.545(3) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 C14 1.517(4) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C14 C26 1.513(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19 C40 1.505(4) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C29 1.517(4) . ?
C21 C22 1.504(4) . ?
C21 C27 1.382(5) . ?
C21 C46 1.386(4) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 C54 1.512(5) . ?
C27 H27 0.9300 . ?
C27 C84 1.376(5) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 C33 1.572(5) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 C78 1.474(6) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C40 C41 1.502(5) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C41 C53 1.503(5) . ?
C46 H46 0.9300 . ?
C46 C60 1.399(6) . ?
C52 H52 0.9300 . ?
C52 C60 1.363(7) . ?
C52 C84 1.361(6) . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
C60 H60 0.9300 . ?
C78 H78A 0.9600 . ?
C78 H78B 0.9600 . ?
C78 H78C 0.9600 . ?
C84 H84 0.9300 . ?
Sb2 Cl4 2.8398(8) . ?
Sb2 Cl6 2.3436(9) . ?
Sb2 Cl7 2.4462(10) . ?
Sb2 Cl8 2.4125(10) . ?
N10 C11 1.518(3) . ?
N10 C15 1.520(4) . ?
N10 C17 1.517(3) . ?
N10 C23 1.544(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 C13 1.514(4) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 C25 1.519(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15 C30 1.501(4) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C17 1.521(4) . ?
C16 C35 1.564(5) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C23 1.507(4) . ?
C18 C24 1.379(5) . ?
C18 C47 1.396(4) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24 0.9300 . ?
C24 C42 1.377(5) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C61 1.513(5) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 C44 1.503(5) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C35 C67 1.461(6) . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C38 C44 1.497(5) . ?
C42 H42 0.9300 . ?
C42 C57 1.358(6) . ?
C44 H44A 0.9700 . ?
C44 H44B 0.9700 . ?
C47 H47 0.9300 . ?
C47 C66 1.388(6) . ?
C57 H57 0.9300 . ?
C57 C66 1.374(7) . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C66 H66 0.9300 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?

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 Cl3 84.45(3) . . ?
Cl2 Sb1 Cl1 90.33(5) . . ?
Cl2 Sb1 Cl5 93.26(5) . . ?
Cl1 Sb1 Cl3 173.64(4) . . ?
Cl5 Sb1 Cl3 90.73(4) . . ?
Cl5 Sb1 Cl1 93.19(5) . . ?
C12 N9 C22 110.9(2) . . ?
C19 N9 C12 106.3(2) . . ?
C19 N9 C22 106.9(2) . . ?
C20 N9 C12 111.5(2) . . ?
C20 N9 C19 111.8(2) . . ?
C20 N9 C22 109.3(2) . . ?
N9 C12 H12A 107.9 . . ?
N9 C12 H12B 107.9 . . ?
H12A C12 H12B 107.2 . . ?
C14 C12 N9 117.6(2) . . ?
C14 C12 H12A 107.9 . . ?
C14 C12 H12B 107.9 . . ?
C12 C14 H14A 109.7 . . ?
C12 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C26 C14 C12 109.9(2) . . ?
C26 C14 H14A 109.7 . . ?
C26 C14 H14B 109.7 . . ?
N9 C19 H19A 108.1 . . ?
N9 C19 H19B 108.1 . . ?
H19A C19 H19B 107.3 . . ?
C40 C19 N9 117.0(2) . . ?
C40 C19 H19A 108.1 . . ?
C40 C19 H19B 108.1 . . ?
N9 C20 H20A 108.6 . . ?
N9 C20 H20B 108.6 . . ?
N9 C20 C29 114.8(2) . . ?
H20A C20 H20B 107.6 . . ?
C29 C20 H20A 108.6 . . ?
C29 C20 H20B 108.6 . . ?
C27 C21 C22 119.8(3) . . ?
C27 C21 C46 119.2(3) . . ?
C46 C21 C22 121.0(3) . . ?
N9 C22 H22A 108.3 . . ?
N9 C22 H22B 108.3 . . ?
C21 C22 N9 115.8(2) . . ?
C21 C22 H22A 108.3 . . ?
C21 C22 H22B 108.3 . . ?
H22A C22 H22B 107.4 . . ?
C14 C26 H26A 109.1 . . ?
C14 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?
C54 C26 C14 112.7(3) . . ?
C54 C26 H26A 109.1 . . ?
C54 C26 H26B 109.1 . . ?
C21 C27 H27 119.9 . . ?
C84 C27 C21 120.1(4) . . ?
C84 C27 H27 119.9 . . ?
C20 C29 H29A 109.8 . . ?
C20 C29 H29B 109.8 . . ?
C20 C29 C33 109.3(3) . . ?
H29A C29 H29B 108.3 . . ?
C33 C29 H29A 109.8 . . ?
C33 C29 H29B 109.8 . . ?
C29 C33 H33A 109.1 . . ?
C29 C33 H33B 109.1 . . ?
H33A C33 H33B 107.9 . . ?
C78 C33 C29 112.4(4) . . ?
C78 C33 H33A 109.1 . . ?
C78 C33 H33B 109.1 . . ?
C19 C40 H40A 109.3 . . ?
C19 C40 H40B 109.3 . . ?
H40A C40 H40B 108.0 . . ?
C41 C40 C19 111.5(3) . . ?
C41 C40 H40A 109.3 . . ?
C41 C40 H40B 109.3 . . ?
C40 C41 H41A 108.8 . . ?
C40 C41 H41B 108.8 . . ?
C40 C41 C53 113.7(3) . . ?
H41A C41 H41B 107.7 . . ?
C53 C41 H41A 108.8 . . ?
C53 C41 H41B 108.8 . . ?
C21 C46 H46 120.4 . . ?
C21 C46 C60 119.3(4) . . ?
C60 C46 H46 120.4 . . ?
C60 C52 H52 120.1 . . ?
C84 C52 H52 120.1 . . ?
C84 C52 C60 119.8(4) . . ?
C41 C53 H53A 109.5 . . ?
C41 C53 H53B 109.5 . . ?
C41 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C26 C54 H54A 109.5 . . ?
C26 C54 H54B 109.5 . . ?
C26 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C46 C60 H60 119.7 . . ?
C52 C60 C46 120.6(4) . . ?
C52 C60 H60 119.7 . . ?
C33 C78 H78A 109.5 . . ?
C33 C78 H78B 109.5 . . ?
C33 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C27 C84 H84 119.5 . . ?
C52 C84 C27 120.9(5) . . ?
C52 C84 H84 119.5 . . ?
Cl6 Sb2 Cl4 84.38(3) . . ?
Cl6 Sb2 Cl7 90.38(5) . . ?
Cl6 Sb2 Cl8 93.33(5) . . ?
Cl7 Sb2 Cl4 173.62(4) . . ?
Cl8 Sb2 Cl4 90.66(4) . . ?
Cl8 Sb2 Cl7 93.30(5) . . ?
C11 N10 C15 106.4(2) . . ?
C11 N10 C23 111.0(2) . . ?
C15 N10 C23 106.8(2) . . ?
C17 N10 C11 111.7(2) . . ?
C17 N10 C15 111.4(2) . . ?
C17 N10 C23 109.4(2) . . ?
N10 C11 H11A 107.9 . . ?
N10 C11 H11B 107.9 . . ?
H11A C11 H11B 107.2 . . ?
C13 C11 N10 117.6(2) . . ?
C13 C11 H11A 107.9 . . ?
C13 C11 H11B 107.9 . . ?
C11 C13 H13A 109.7 . . ?
C11 C13 H13B 109.7 . . ?
C11 C13 C25 110.0(2) . . ?
H13A C13 H13B 108.2 . . ?
C25 C13 H13A 109.7 . . ?
C25 C13 H13B 109.7 . . ?
N10 C15 H15A 108.0 . . ?
N10 C15 H15B 108.0 . . ?
H15A C15 H15B 107.3 . . ?
C30 C15 N10 117.1(2) . . ?
C30 C15 H15A 108.0 . . ?
C30 C15 H15B 108.0 . . ?
H16A C16 H16B 108.3 . . ?
C17 C16 H16A 109.8 . . ?
C17 C16 H16B 109.8 . . ?
C17 C16 C35 109.4(3) . . ?
C35 C16 H16A 109.8 . . ?
C35 C16 H16B 109.8 . . ?
N10 C17 C16 114.8(2) . . ?
N10 C17 H17A 108.6 . . ?
N10 C17 H17B 108.6 . . ?
C16 C17 H17A 108.6 . . ?
C16 C17 H17B 108.6 . . ?
H17A C17 H17B 107.5 . . ?
C24 C18 C23 120.0(3) . . ?
C24 C18 C47 119.2(3) . . ?
C47 C18 C23 120.8(3) . . ?
N10 C23 H23A 108.4 . . ?
N10 C23 H23B 108.4 . . ?
C18 C23 N10 115.4(2) . . ?
C18 C23 H23A 108.4 . . ?
C18 C23 H23B 108.4 . . ?
H23A C23 H23B 107.5 . . ?
C18 C24 H24 119.9 . . ?
C42 C24 C18 120.1(4) . . ?
C42 C24 H24 119.9 . . ?
C13 C25 H25A 109.2 . . ?
C13 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C61 C25 C13 112.2(3) . . ?
C61 C25 H25A 109.2 . . ?
C61 C25 H25B 109.2 . . ?
C15 C30 H30A 109.3 . . ?
C15 C30 H30B 109.3 . . ?
C15 C30 C44 111.7(3) . . ?
H30A C30 H30B 107.9 . . ?
C44 C30 H30A 109.3 . . ?
C44 C30 H30B 109.3 . . ?
C16 C35 H35A 109.1 . . ?
C16 C35 H35B 109.1 . . ?
H35A C35 H35B 107.8 . . ?
C67 C35 C16 112.6(4) . . ?
C67 C35 H35A 109.1 . . ?
C67 C35 H35B 109.1 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C44 C38 H38A 109.5 . . ?
C44 C38 H38B 109.5 . . ?
C44 C38 H38C 109.5 . . ?
C24 C42 H42 119.6 . . ?
C57 C42 C24 120.8(4) . . ?
C57 C42 H42 119.6 . . ?
C30 C44 H44A 108.7 . . ?
C30 C44 H44B 108.7 . . ?
C38 C44 C30 114.3(3) . . ?
C38 C44 H44A 108.7 . . ?
C38 C44 H44B 108.7 . . ?
H44A C44 H44B 107.6 . . ?
C18 C47 H47 120.3 . . ?
C66 C47 C18 119.4(4) . . ?
C66 C47 H47 120.3 . . ?
C42 C57 H57 120.0 . . ?
C42 C57 C66 119.9(4) . . ?
C66 C57 H57 120.0 . . ?
C25 C61 H61A 109.5 . . ?
C25 C61 H61B 109.5 . . ?
C25 C61 H61C 109.5 . . ?
H61A C61 H61B 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C47 C66 H66 119.8 . . ?
C57 C66 C47 120.4(4) . . ?
C57 C66 H66 119.8 . . ?
C35 C67 H67A 109.5 . . ?
C35 C67 H67B 109.5 . . ?
C35 C67 H67C 109.5 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?

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
N9 C12 C14 C26 169.5(2) . . . . ?
N9 C19 C40 C41 177.6(3) . . . . ?
N9 C20 C29 C33 -157.7(3) . . . . ?
C12 N9 C19 C40 178.4(3) . . . . ?
C12 N9 C20 C29 61.7(3) . . . . ?
C12 N9 C22 C21 51.8(3) . . . . ?
C12 C14 C26 C54 179.0(3) . . . . ?
C19 N9 C12 C14 158.3(2) . . . . ?
C19 N9 C20 C29 -57.1(3) . . . . ?
C19 N9 C22 C21 167.3(3) . . . . ?
C19 C40 C41 C53 177.7(3) . . . . ?
C20 N9 C12 C14 36.3(3) . . . . ?
C20 N9 C19 C40 -59.7(3) . . . . ?
C20 N9 C22 C21 -71.5(3) . . . . ?
C20 C29 C33 C78 -179.1(3) . . . . ?
C21 C27 C84 C52 1.5(6) . . . . ?
C21 C46 C60 C52 -0.1(6) . . . . ?
C22 N9 C12 C14 -85.9(3) . . . . ?
C22 N9 C19 C40 59.9(3) . . . . ?
C22 N9 C20 C29 -175.3(3) . . . . ?
C22 C21 C27 C84 177.0(3) . . . . ?
C22 C21 C46 C60 -177.8(3) . . . . ?
C27 C21 C22 N9 -91.5(3) . . . . ?
C27 C21 C46 C60 4.0(5) . . . . ?
C46 C21 C22 N9 90.3(3) . . . . ?
C46 C21 C27 C84 -4.7(5) . . . . ?
C60 C52 C84 C27 2.4(7) . . . . ?
C84 C52 C60 C46 -3.1(7) . . . . ?
N10 C11 C13 C25 169.5(2) . . . . ?
N10 C15 C30 C44 177.8(3) . . . . ?
C11 N10 C15 C30 178.4(3) . . . . ?
C11 N10 C17 C16 61.5(3) . . . . ?
C11 N10 C23 C18 51.7(3) . . . . ?
C11 C13 C25 C61 179.2(3) . . . . ?
C15 N10 C11 C13 158.0(2) . . . . ?
C15 N10 C17 C16 -57.3(3) . . . . ?
C15 N10 C23 C18 167.3(3) . . . . ?
C15 C30 C44 C38 177.6(3) . . . . ?
C17 N10 C11 C13 36.2(3) . . . . ?
C17 N10 C15 C30 -59.6(3) . . . . ?
C17 N10 C23 C18 -72.0(3) . . . . ?
C17 C16 C35 C67 -179.3(4) . . . . ?
C18 C24 C42 C57 1.7(6) . . . . ?
C18 C47 C66 C57 0.1(6) . . . . ?
C23 N10 C11 C13 -86.2(3) . . . . ?
C23 N10 C15 C30 59.8(3) . . . . ?
C23 N10 C17 C16 -175.1(3) . . . . ?
C23 C18 C24 C42 177.3(3) . . . . ?
C23 C18 C47 C66 -178.2(3) . . . . ?
C24 C18 C23 N10 -91.5(3) . . . . ?
C24 C18 C47 C66 3.7(5) . . . . ?
C24 C42 C57 C66 2.2(7) . . . . ?
C35 C16 C17 N10 -157.4(3) . . . . ?
C42 C57 C66 C47 -3.0(7) . . . . ?
C47 C18 C23 N10 90.4(3) . . . . ?
C47 C18 C24 C42 -4.6(5) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
