# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_c
_audit_block_doi                 10.5517/ccdc.csd.cc2gqr21
_database_code_depnum_ccdc_archive 'CCDC 2285973'
loop_
_audit_author_name
_audit_author_address
'Meijuan Yin'
;northeastern university
China
;
_audit_update_record             
;
2023-08-01 deposited with the CCDC.	2023-08-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H48 Cl5 P2 Sb'
_chemical_formula_weight         937.76

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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   10.0525(12)
_cell_length_b                   16.9015(17)
_cell_length_c                   13.739(2)
_cell_angle_alpha                90
_cell_angle_beta                 109.287(16)
_cell_angle_gamma                90
_cell_volume                     2203.2(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    10469
_cell_measurement_theta_min      3.142
_cell_measurement_theta_max      29.279

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_F_000             956
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_absorpt_coefficient_mu    1.032
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5782
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   
;
SADABS-2004/1. Bruker AXS Inc., Madison, Wisconsin, USA, 2004
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker PHOTON2 CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10469
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         3.142
_diffrn_reflns_theta_max         29.279
_diffrn_reflns_theta_full        29.279
_diffrn_measured_fraction_theta_max 0.857
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.857
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.857
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5152
_reflns_number_gt                3697
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX2 (Bruker, 2003-2008)'
_computing_cell_refinement       'APEX2 (Bruker, 2003-2008)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2005)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0310P)²+2.5918P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5152
_refine_ls_number_parameters     241
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0452
_refine_ls_wR_factor_ref         0.1003
_refine_ls_wR_factor_gt          0.0851
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_restrained_S_all      0.998
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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
Sb Sb 1.0000 0.5000 0.5000 0.05038(12) Uani 1 2 d S . P . .
Cl1 Cl 0.75929(9) 0.45157(5) 0.37487(7) 0.0519(2) Uani 1 1 d . . . . .
Cl2 Cl 0.88450(10) 0.55665(6) 0.62990(8) 0.0603(3) Uani 1 1 d . . . . .
Cl3 Cl 1.02594(18) 0.38159(9) 0.56845(14) 0.0449(4) Uani 0.5 1 d . . P . .
P P 0.47211(9) 0.22046(5) 0.33405(7) 0.0373(2) Uani 1 1 d . . . . .
C1 C 0.3068(3) 0.18589(19) 0.3402(3) 0.0404(8) Uani 1 1 d . . . . .
C2 C 0.2240(4) 0.2372(2) 0.3745(3) 0.0564(10) Uani 1 1 d . . . . .
H2 H 0.2529 0.2892 0.3911 0.068 Uiso 1 1 calc R U . . .
C3 C 0.0992(4) 0.2112(3) 0.3839(4) 0.0711(13) Uani 1 1 d . . . . .
H3 H 0.0440 0.2453 0.4075 0.085 Uiso 1 1 calc R U . . .
C4 C 0.0566(4) 0.1351(3) 0.3586(3) 0.0682(12) Uani 1 1 d . . . . .
H4 H -0.0278 0.1177 0.3653 0.082 Uiso 1 1 calc R U . . .
C5 C 0.1360(4) 0.0837(3) 0.3236(3) 0.0608(11) Uani 1 1 d . . . . .
H5 H 0.1053 0.0321 0.3060 0.073 Uiso 1 1 calc R U . . .
C6 C 0.2618(4) 0.1091(2) 0.3145(3) 0.0500(9) Uani 1 1 d . . . . .
H6 H 0.3164 0.0745 0.2911 0.060 Uiso 1 1 calc R U . . .
C7 C 0.6063(4) 0.2005(2) 0.4547(3) 0.0444(8) Uani 1 1 d . . . . .
C8 C 0.5847(5) 0.1420(3) 0.5179(3) 0.0665(11) Uani 1 1 d . . . . .
H8 H 0.4988 0.1156 0.4990 0.080 Uiso 1 1 calc R U . . .
C9 C 0.6877(6) 0.1224(3) 0.6078(4) 0.0859(15) Uani 1 1 d . . . . .
H9 H 0.6717 0.0829 0.6498 0.103 Uiso 1 1 calc R U . . .
C10 C 0.8122(6) 0.1602(3) 0.6355(4) 0.0861(16) Uani 1 1 d . . . . .
H10 H 0.8826 0.1460 0.6963 0.103 Uiso 1 1 calc R U . . .
C11 C 0.8370(5) 0.2194(3) 0.5754(4) 0.0828(15) Uani 1 1 d . . . . .
H11 H 0.9236 0.2453 0.5956 0.099 Uiso 1 1 calc R U . . .
C12 C 0.7325(4) 0.2408(2) 0.4842(3) 0.0617(11) Uani 1 1 d . . . . .
H12 H 0.7477 0.2816 0.4437 0.074 Uiso 1 1 calc R U . . .
C13 C 0.5163(3) 0.16994(18) 0.2343(2) 0.0361(7) Uani 1 1 d . . . . .
C14 C 0.6568(4) 0.1579(2) 0.2451(3) 0.0493(9) Uani 1 1 d . . . . .
H14 H 0.7272 0.1746 0.3045 0.059 Uiso 1 1 calc R U . . .
C15 C 0.6916(4) 0.1213(2) 0.1680(3) 0.0562(10) Uani 1 1 d . . . . .
H15 H 0.7860 0.1143 0.1748 0.067 Uiso 1 1 calc R U . . .
C16 C 0.5900(4) 0.0950(2) 0.0817(3) 0.0508(9) Uani 1 1 d . . . . .
H16 H 0.6150 0.0689 0.0307 0.061 Uiso 1 1 calc R U . . .
C17 C 0.4511(4) 0.1071(2) 0.0698(3) 0.0493(9) Uani 1 1 d . . . . .
H17 H 0.3817 0.0895 0.0104 0.059 Uiso 1 1 calc R U . . .
C18 C 0.4134(4) 0.1453(2) 0.1456(3) 0.0449(8) Uani 1 1 d . . . . .
H18 H 0.3189 0.1543 0.1368 0.054 Uiso 1 1 calc R U . . .
C19 C 0.4625(4) 0.32470(19) 0.3086(3) 0.0456(8) Uani 1 1 d . . . . .
H19A H 0.4431 0.3516 0.3648 0.055 Uiso 1 1 calc R U . . .
H19B H 0.5539 0.3426 0.3080 0.055 Uiso 1 1 calc R U . . .
C20 C 0.3528(4) 0.3491(2) 0.2087(3) 0.0528(9) Uani 1 1 d . . . . .
H20A H 0.2609 0.3307 0.2077 0.063 Uiso 1 1 calc R U . . .
H20B H 0.3735 0.3246 0.1515 0.063 Uiso 1 1 calc R U . . .
C21 C 0.3493(5) 0.4381(2) 0.1958(3) 0.0667(12) Uani 1 1 d . . . . .
H21A H 0.3361 0.4622 0.2560 0.080 Uiso 1 1 calc R U . . .
H21B H 0.4397 0.4555 0.1927 0.080 Uiso 1 1 calc R U . . .
C22 C 0.2377(7) 0.4665(3) 0.1032(4) 0.109(2) Uani 1 1 d . . . . .
H22A H 0.2418 0.5231 0.1000 0.130 Uiso 1 1 calc R U . . .
H22B H 0.2512 0.4441 0.0429 0.130 Uiso 1 1 calc R U . . .
H22C H 0.1475 0.4507 0.1063 0.130 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
Sb Cl3 2.1900(16) . ?
Sb Cl3 2.1900(16) 3_766 ?
Sb Cl1 2.5947(10) . ?
Sb Cl1 2.5947(10) 3_766 ?
Sb Cl2 2.6113(10) . ?
Sb Cl2 2.6113(10) 3_766 ?
P C1 1.790(3) . ?
P C7 1.790(4) . ?
P C13 1.791(3) . ?
P C19 1.793(3) . ?
C1 C6 1.381(5) . ?
C1 C2 1.388(5) . ?
C2 C3 1.376(5) . ?
C2 H2 0.9300 . ?
C3 C4 1.364(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.370(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.379(5) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.377(5) . ?
C7 C8 1.380(5) . ?
C8 C9 1.366(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.344(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.372(7) . ?
C10 H10 0.9300 . ?
C11 C12 1.391(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.377(4) . ?
C13 C14 1.386(4) . ?
C14 C15 1.368(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.359(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.366(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.380(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.507(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.513(5) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.470(6) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 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
Cl3 Sb Cl3 180.00(9) . 3_766 ?
Cl3 Sb Cl1 87.07(5) . . ?
Cl3 Sb Cl1 92.93(5) 3_766 . ?
Cl3 Sb Cl1 92.93(5) . 3_766 ?
Cl3 Sb Cl1 87.07(5) 3_766 3_766 ?
Cl1 Sb Cl1 180.0 . 3_766 ?
Cl3 Sb Cl2 93.35(5) . . ?
Cl3 Sb Cl2 86.65(5) 3_766 . ?
Cl1 Sb Cl2 92.33(3) . . ?
Cl1 Sb Cl2 87.67(3) 3_766 . ?
Cl3 Sb Cl2 86.66(5) . 3_766 ?
Cl3 Sb Cl2 93.34(5) 3_766 3_766 ?
Cl1 Sb Cl2 87.67(3) . 3_766 ?
Cl1 Sb Cl2 92.33(3) 3_766 3_766 ?
Cl2 Sb Cl2 180.0 . 3_766 ?
C1 P C7 108.82(17) . . ?
C1 P C13 110.43(15) . . ?
C7 P C13 108.51(15) . . ?
C1 P C19 109.82(16) . . ?
C7 P C19 109.94(17) . . ?
C13 P C19 109.30(16) . . ?
C6 C1 C2 119.4(3) . . ?
C6 C1 P 121.7(3) . . ?
C2 C1 P 118.8(3) . . ?
C3 C2 C1 120.0(4) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C4 C3 C2 119.8(4) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 121.1(4) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C4 C5 C6 119.5(4) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 120.1(4) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C12 C7 C8 119.3(4) . . ?
C12 C7 P 121.3(3) . . ?
C8 C7 P 119.4(3) . . ?
C9 C8 C7 120.9(5) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C10 C9 C8 119.8(5) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 120.9(5) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C10 C11 C12 119.9(5) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C7 C12 C11 119.0(4) . . ?
C7 C12 H12 120.5 . . ?
C11 C12 H12 120.5 . . ?
C18 C13 C14 119.4(3) . . ?
C18 C13 P 121.2(3) . . ?
C14 C13 P 119.3(3) . . ?
C15 C14 C13 119.7(3) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C16 C15 C14 120.8(4) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C15 C16 C17 120.0(3) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C18 120.2(3) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C13 C18 C17 119.8(3) . . ?
C13 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C20 C19 P 115.0(2) . . ?
C20 C19 H19A 108.5 . . ?
P C19 H19A 108.5 . . ?
C20 C19 H19B 108.5 . . ?
P C19 H19B 108.5 . . ?
H19A C19 H19B 107.5 . . ?
C19 C20 C21 111.2(3) . . ?
C19 C20 H20A 109.4 . . ?
C21 C20 H20A 109.4 . . ?
C19 C20 H20B 109.4 . . ?
C21 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
C22 C21 C20 114.0(4) . . ?
C22 C21 H21A 108.7 . . ?
C20 C21 H21A 108.7 . . ?
C22 C21 H21B 108.7 . . ?
C20 C21 H21B 108.7 . . ?
H21A C21 H21B 107.6 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

_refine_diff_density_max         0.540
_refine_diff_density_min         -1.263
_refine_diff_density_rms         0.075



####################################################################### 
# 
# 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_a
_audit_block_doi                 10.5517/ccdc.csd.cc2gqr54
_database_code_depnum_ccdc_archive 'CCDC 2285976'
loop_
_audit_author_name
_audit_author_address
'Meijuan Yin'
;northeastern university
China
;
_audit_update_record             
;
2023-08-01 deposited with the CCDC.	2023-08-30 downloaded from the CCDC.
;
_audit_creation_date             2023-08-01
_audit_creation_method           
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl5 Sb, 2(C19 H18 P)'
_chemical_formula_sum            'C38 H36 Cl5 P2 Sb'
_chemical_formula_weight         853.61
_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.1192(3)
_cell_length_b                   15.8880(7)
_cell_length_c                   13.1790(5)
_cell_angle_alpha                90
_cell_angle_beta                 102.6770(10)
_cell_angle_gamma                90
_cell_volume                     1862.90(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9925
_cell_measurement_temperature    150.00
_cell_measurement_theta_max      26.51
_cell_measurement_theta_min      2.56
_shelx_estimated_absorpt_T_max   0.849
_shelx_estimated_absorpt_T_min   0.830
_exptl_absorpt_coefficient_mu    1.212
_exptl_absorpt_correction_T_max  0.0104
_exptl_absorpt_correction_T_min  0.0013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0772 before and 0.0506 after correction.
The Ratio of minimum to maximum transmission is 0.1250.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_unetI/netI     0.0135
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            33175
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.038
_diffrn_ambient_temperature      150.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3057
_reflns_number_total             3289
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.825
_refine_diff_density_min         -1.649
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     215
_refine_ls_number_reflns         3289
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0818
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0390P)²+11.9116P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1749
_refine_ls_wR_factor_ref         0.1766
_refine_special_details          ?
_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. Others
 Fixed Sof: Cl1(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C9(H9), C15(H15), C3(H3), C19(H19), C13(H13), C16(H16), C18(H18), C4(H4),
 C10(H10), C17(H17), C11(H11), C6(H6), C7(H7), C5(H5), C12(H12)
3.b Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.500000 0.500000 0.000000 0.0960(4) Uani 1 2 d S . P . .
P1 P 0.3870(2) 0.74535(13) 0.33778(15) 0.0612(5) Uani 1 1 d . . . . .
Cl3 Cl 0.2251(2) 0.55112(15) -0.01410(16) 0.0773(6) Uani 1 1 d . . . . .
Cl2 Cl 0.5100(2) 0.45393(16) 0.19136(15) 0.0832(6) Uani 1 1 d . . . . .
Cl1 Cl 0.5844(4) 0.6157(2) 0.0563(3) 0.0659(9) Uani 0.5 1 d . . P . .
C14 C 0.2122(8) 0.6910(5) 0.2924(5) 0.0624(18) Uani 1 1 d . . . . .
C8 C 0.4596(8) 0.7795(5) 0.2287(6) 0.0600(17) Uani 1 1 d . . . . .
C9 C 0.5822(8) 0.8332(5) 0.2443(6) 0.069(2) Uani 1 1 d . . . . .
H9 H 0.626809 0.852155 0.312398 0.083 Uiso 1 1 calc R U . . .
C2 C 0.5177(8) 0.6736(5) 0.4130(5) 0.0635(18) Uani 1 1 d . . . . .
C15 C 0.0772(9) 0.7310(5) 0.2894(6) 0.071(2) Uani 1 1 d . . . . .
H15 H 0.075277 0.787371 0.313212 0.085 Uiso 1 1 calc R U . . .
C3 C 0.6173(9) 0.6284(5) 0.3676(6) 0.070(2) Uani 1 1 d . . . . .
H3 H 0.620357 0.638843 0.297147 0.084 Uiso 1 1 calc R U . . .
C19 C 0.2138(10) 0.6085(5) 0.2564(6) 0.076(2) Uani 1 1 d . . . . .
H19 H 0.306452 0.580653 0.258137 0.091 Uiso 1 1 calc R U . . .
C1 C 0.3612(9) 0.8339(6) 0.4154(7) 0.079(2) Uani 1 1 d . . . . .
H1A H 0.289306 0.872946 0.373539 0.118 Uiso 1 1 calc R U . . .
H1B H 0.457654 0.862462 0.439965 0.118 Uiso 1 1 calc R U . . .
H1C H 0.322408 0.814785 0.475156 0.118 Uiso 1 1 calc R U . . .
C13 C 0.3949(9) 0.7524(7) 0.1287(6) 0.085(3) Uani 1 1 d . . . . .
H13 H 0.309714 0.716383 0.117086 0.102 Uiso 1 1 calc R U . . .
C16 C -0.0562(10) 0.6880(7) 0.2510(7) 0.086(3) Uani 1 1 d . . . . .
H16 H -0.149755 0.715227 0.248293 0.103 Uiso 1 1 calc R U . . .
C18 C 0.0796(11) 0.5678(7) 0.2184(7) 0.087(3) Uani 1 1 d . . . . .
H18 H 0.080372 0.511977 0.192835 0.105 Uiso 1 1 calc R U . . .
C4 C 0.7120(11) 0.5683(6) 0.4236(7) 0.087(3) Uani 1 1 d . . . . .
H4 H 0.778856 0.537986 0.391016 0.104 Uiso 1 1 calc R U . . .
C10 C 0.6401(9) 0.8594(5) 0.1600(7) 0.076(2) Uani 1 1 d . . . . .
H10 H 0.724743 0.895816 0.170795 0.092 Uiso 1 1 calc R U . . .
C17 C -0.0539(11) 0.6063(7) 0.2170(6) 0.085(3) Uani 1 1 d . . . . .
H17 H -0.145492 0.576848 0.192479 0.102 Uiso 1 1 calc R U . . .
C11 C 0.5759(10) 0.8330(7) 0.0627(7) 0.096(3) Uani 1 1 d . . . . .
H11 H 0.614075 0.852084 0.005197 0.115 Uiso 1 1 calc R U . . .
C6 C 0.6112(12) 0.5953(7) 0.5703(7) 0.095(3) Uani 1 1 d . . . . .
H6 H 0.607701 0.582834 0.640208 0.114 Uiso 1 1 calc R U . . .
C7 C 0.5160(10) 0.6562(6) 0.5170(6) 0.080(2) Uani 1 1 d . . . . .
H7 H 0.449951 0.686055 0.550752 0.096 Uiso 1 1 calc R U . . .
C5 C 0.7101(13) 0.5524(7) 0.5249(8) 0.100(3) Uani 1 1 d . . . . .
H5 H 0.776616 0.512097 0.563523 0.120 Uiso 1 1 calc R U . . .
C12 C 0.4544(11) 0.7781(8) 0.0465(7) 0.109(4) Uani 1 1 d . . . . .
H12 H 0.412303 0.758124 -0.021653 0.131 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 2.6025(19) . ?
Sb1 Cl3 2.6025(19) 3_665 ?
Sb1 Cl2 2.608(2) . ?
Sb1 Cl2 2.608(2) 3_665 ?
Sb1 Cl1 2.067(4) 3_665 ?
Sb1 Cl1 2.067(4) . ?
P1 C14 1.796(7) . ?
P1 C8 1.794(7) . ?
P1 C2 1.785(8) . ?
P1 C1 1.784(8) . ?
C14 C15 1.379(11) . ?
C14 C19 1.395(11) . ?
C8 C9 1.385(10) . ?
C8 C13 1.389(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.394(11) . ?
C2 C3 1.391(10) . ?
C2 C7 1.402(10) . ?
C15 H15 0.9500 . ?
C15 C16 1.391(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(11) . ?
C19 H19 0.9500 . ?
C19 C18 1.377(11) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C13 H13 0.9500 . ?
C13 C12 1.376(11) . ?
C16 H16 0.9500 . ?
C16 C17 1.374(13) . ?
C18 H18 0.9500 . ?
C18 C17 1.359(13) . ?
C4 H4 0.9500 . ?
C4 C5 1.363(13) . ?
C10 H10 0.9500 . ?
C10 C11 1.354(12) . ?
C17 H17 0.9500 . ?
C11 H11 0.9500 . ?
C11 C12 1.389(13) . ?
C6 H6 0.9500 . ?
C6 C7 1.384(13) . ?
C6 C5 1.368(14) . ?
C7 H7 0.9500 . ?
C5 H5 0.9500 . ?
C12 H12 0.9500 . ?

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
Cl3 Sb1 Cl3 180.0 . 3_665 ?
Cl3 Sb1 Cl2 89.15(7) 3_665 3_665 ?
Cl3 Sb1 Cl2 90.85(7) 3_665 . ?
Cl3 Sb1 Cl2 89.15(7) . . ?
Cl3 Sb1 Cl2 90.85(7) . 3_665 ?
Cl2 Sb1 Cl2 180.0 3_665 . ?
Cl1 Sb1 Cl3 91.45(12) . . ?
Cl1 Sb1 Cl3 88.55(12) . 3_665 ?
Cl1 Sb1 Cl3 88.55(12) 3_665 . ?
Cl1 Sb1 Cl3 91.45(12) 3_665 3_665 ?
Cl1 Sb1 Cl2 91.64(12) 3_665 . ?
Cl1 Sb1 Cl2 88.36(12) . . ?
Cl1 Sb1 Cl2 88.36(12) 3_665 3_665 ?
Cl1 Sb1 Cl2 91.64(12) . 3_665 ?
Cl1 Sb1 Cl1 180.0 . 3_665 ?
C8 P1 C14 109.6(3) . . ?
C2 P1 C14 108.3(4) . . ?
C2 P1 C8 108.6(3) . . ?
C1 P1 C14 110.5(4) . . ?
C1 P1 C8 109.8(4) . . ?
C1 P1 C2 110.0(4) . . ?
C15 C14 P1 120.6(6) . . ?
C15 C14 C19 119.9(7) . . ?
C19 C14 P1 119.4(6) . . ?
C9 C8 P1 119.7(6) . . ?
C9 C8 C13 119.5(7) . . ?
C13 C8 P1 120.8(6) . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.0(8) . . ?
C10 C9 H9 120.0 . . ?
C3 C2 P1 120.7(6) . . ?
C3 C2 C7 117.8(8) . . ?
C7 C2 P1 121.3(7) . . ?
C14 C15 H15 120.4 . . ?
C14 C15 C16 119.2(8) . . ?
C16 C15 H15 120.4 . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.1(8) . . ?
C4 C3 H3 119.5 . . ?
C14 C19 H19 120.3 . . ?
C18 C19 C14 119.4(9) . . ?
C18 C19 H19 120.3 . . ?
P1 C1 H1A 109.5 . . ?
P1 C1 H1B 109.5 . . ?
P1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C8 C13 H13 120.1 . . ?
C12 C13 C8 119.8(8) . . ?
C12 C13 H13 120.1 . . ?
C15 C16 H16 119.7 . . ?
C17 C16 C15 120.5(9) . . ?
C17 C16 H16 119.7 . . ?
C19 C18 H18 119.5 . . ?
C17 C18 C19 121.0(9) . . ?
C17 C18 H18 119.5 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.5(9) . . ?
C5 C4 H4 119.7 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.1(8) . . ?
C11 C10 H10 120.0 . . ?
C16 C17 H17 120.1 . . ?
C18 C17 C16 119.9(8) . . ?
C18 C17 H17 120.1 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.3(8) . . ?
C12 C11 H11 119.8 . . ?
C7 C6 H6 119.1 . . ?
C5 C6 H6 119.1 . . ?
C5 C6 C7 121.8(9) . . ?
C2 C7 H7 120.2 . . ?
C6 C7 C2 119.5(9) . . ?
C6 C7 H7 120.2 . . ?
C4 C5 C6 119.2(10) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
C13 C12 C11 120.3(9) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?

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 C14 C15 C16 178.1(6) . . . . ?
P1 C14 C19 C18 -177.8(6) . . . . ?
P1 C8 C9 C10 179.4(6) . . . . ?
P1 C8 C13 C12 -178.7(8) . . . . ?
P1 C2 C3 C4 -175.5(7) . . . . ?
P1 C2 C7 C6 174.9(7) . . . . ?
C14 P1 C8 C9 170.7(6) . . . . ?
C14 P1 C8 C13 -9.5(8) . . . . ?
C14 P1 C2 C3 94.5(7) . . . . ?
C14 P1 C2 C7 -80.7(7) . . . . ?
C14 C15 C16 C17 0.3(12) . . . . ?
C14 C19 C18 C17 -1.0(13) . . . . ?
C8 P1 C14 C15 -100.7(6) . . . . ?
C8 P1 C14 C19 76.9(7) . . . . ?
C8 P1 C2 C3 -24.4(7) . . . . ?
C8 P1 C2 C7 160.4(6) . . . . ?
C8 C9 C10 C11 0.6(13) . . . . ?
C8 C13 C12 C11 -2.1(17) . . . . ?
C9 C8 C13 C12 1.1(14) . . . . ?
C9 C10 C11 C12 -1.6(15) . . . . ?
C2 P1 C14 C15 141.0(6) . . . . ?
C2 P1 C14 C19 -41.4(7) . . . . ?
C2 P1 C8 C9 -71.2(7) . . . . ?
C2 P1 C8 C13 108.5(7) . . . . ?
C2 C3 C4 C5 -0.3(14) . . . . ?
C15 C14 C19 C18 -0.2(12) . . . . ?
C15 C16 C17 C18 -1.6(13) . . . . ?
C3 C2 C7 C6 -0.4(12) . . . . ?
C3 C4 C5 C6 1.3(16) . . . . ?
C19 C14 C15 C16 0.5(12) . . . . ?
C19 C18 C17 C16 1.9(14) . . . . ?
C1 P1 C14 C15 20.5(8) . . . . ?
C1 P1 C14 C19 -161.9(6) . . . . ?
C1 P1 C8 C9 49.1(7) . . . . ?
C1 P1 C8 C13 -131.1(7) . . . . ?
C1 P1 C2 C3 -144.7(6) . . . . ?
C1 P1 C2 C7 40.2(7) . . . . ?
C13 C8 C9 C10 -0.3(12) . . . . ?
C10 C11 C12 C13 2.4(18) . . . . ?
C7 C2 C3 C4 -0.2(12) . . . . ?
C7 C6 C5 C4 -2.0(16) . . . . ?
C5 C6 C7 C2 1.5(15) . . . . ?

_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_ck
_audit_block_doi                 10.5517/ccdc.csd.cc2gqr32
_database_code_depnum_ccdc_archive 'CCDC 2285974'
loop_
_audit_author_name
_audit_author_address
'Meijuan Yin'
;northeastern university
China
;
_audit_update_record             
;
2023-08-01 deposited with the CCDC.	2023-08-30 downloaded from the CCDC.
;
_audit_creation_date             2023-07-12
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Cl5 Sb, 2(C25 H22 P)'
_chemical_formula_sum            'C50 H44 Cl5 P2 Sb'
_chemical_formula_weight         1005.79
_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.4844(4)
_cell_length_b                   14.5953(4)
_cell_length_c                   15.1518(6)
_cell_angle_alpha                90
_cell_angle_beta                 103.5520(10)
_cell_angle_gamma                90
_cell_volume                     2254.02(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9846
_cell_measurement_temperature    150.0
_cell_measurement_theta_max      26.311
_cell_measurement_theta_min      2.438
_shelx_estimated_absorpt_T_max   0.855
_shelx_estimated_absorpt_T_min   0.823
_exptl_absorpt_coefficient_mu    1.014
_exptl_absorpt_correction_T_max  0.0276
_exptl_absorpt_correction_T_min  0.0102
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0764 before and 0.0561 after correction.
The Ratio of minimum to maximum transmission is 0.3696.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1020
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0440
_diffrn_reflns_av_unetI/netI     0.0167
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            69865
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.402
_diffrn_reflns_theta_min         2.147
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_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           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3735
_reflns_number_total             4622
_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 V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.557
_refine_diff_density_min         -1.554
_refine_diff_density_rms         0.056
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         4622
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0339
_refine_ls_restrained_S_all      1.057
_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)+(0.0123P)²+2.9609P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0640
_refine_ls_wR_factor_ref         0.0700
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Fixed Sof: Cl1(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C19(H19A,H19B)
3.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22),
  C23(H23), C24(H24), C25(H25)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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 0.500000 0.500000 1.000000 0.05394(10) Uani 1 2 d S . P . .
Cl1 Cl 0.51351(13) 0.36200(9) 0.95022(9) 0.0448(3) Uani 0.5 1 d . . P . .
Cl2 Cl 0.75285(6) 0.49924(5) 1.07278(5) 0.05054(17) Uani 1 1 d . . . . .
Cl3 Cl 0.54143(7) 0.57569(5) 0.85290(5) 0.05343(18) Uani 1 1 d . . . . .
P1 P 0.60099(7) 0.24543(5) 0.64149(5) 0.03909(16) Uani 1 1 d . . . . .
C1 C 0.7302(3) 0.29155(17) 0.73016(17) 0.0419(6) Uani 1 1 d . . . . .
C2 C 0.7066(3) 0.3046(2) 0.81573(19) 0.0534(7) Uani 1 1 d . . . . .
H2 H 0.625807 0.285339 0.827716 0.064 Uiso 1 1 calc R U . . .
C3 C 0.8013(3) 0.3458(2) 0.8838(2) 0.0577(8) Uani 1 1 d . . . . .
H3 H 0.783869 0.356840 0.941655 0.069 Uiso 1 1 calc R U . . .
C4 C 0.9199(3) 0.37050(19) 0.8675(2) 0.0523(7) Uani 1 1 d . . . . .
H4 H 0.984543 0.398667 0.914062 0.063 Uiso 1 1 calc R U . . .
C5 C 0.9456(3) 0.3547(2) 0.7841(2) 0.0554(8) Uani 1 1 d . . . . .
H5 H 1.028887 0.370309 0.773800 0.066 Uiso 1 1 calc R U . . .
C6 C 0.8508(3) 0.3160(2) 0.71465(19) 0.0489(7) Uani 1 1 d . . . . .
H6 H 0.868394 0.306331 0.656660 0.059 Uiso 1 1 calc R U . . .
C7 C 0.6253(3) 0.27596(17) 0.53172(17) 0.0399(6) Uani 1 1 d . . . . .
C8 C 0.5481(3) 0.34444(19) 0.48112(19) 0.0473(7) Uani 1 1 d . . . . .
H8 H 0.482574 0.374503 0.504453 0.057 Uiso 1 1 calc R U . . .
C9 C 0.5674(3) 0.3683(2) 0.3969(2) 0.0543(8) Uani 1 1 d . . . . .
H9 H 0.515818 0.415374 0.362679 0.065 Uiso 1 1 calc R U . . .
C10 C 0.6606(3) 0.3244(2) 0.36238(19) 0.0539(7) Uani 1 1 d . . . . .
H10 H 0.672782 0.340866 0.304257 0.065 Uiso 1 1 calc R U . . .
C11 C 0.7366(3) 0.2565(2) 0.4115(2) 0.0554(8) Uani 1 1 d . . . . .
H11 H 0.800908 0.226350 0.387014 0.066 Uiso 1 1 calc R U . . .
C12 C 0.7200(3) 0.23194(19) 0.49639(18) 0.0476(7) Uani 1 1 d . . . . .
H12 H 0.773009 0.185283 0.530286 0.057 Uiso 1 1 calc R U . . .
C13 C 0.4472(3) 0.29292(18) 0.65279(17) 0.0409(6) Uani 1 1 d . . . . .
C14 C 0.3312(3) 0.2448(2) 0.61928(19) 0.0498(7) Uani 1 1 d . . . . .
H14 H 0.334189 0.185615 0.593742 0.060 Uiso 1 1 calc R U . . .
C15 C 0.2121(3) 0.2826(2) 0.6230(2) 0.0556(8) Uani 1 1 d . . . . .
H15 H 0.133229 0.249457 0.600306 0.067 Uiso 1 1 calc R U . . .
C16 C 0.2079(3) 0.3685(2) 0.6597(2) 0.0575(8) Uani 1 1 d . . . . .
H16 H 0.125607 0.395156 0.660804 0.069 Uiso 1 1 calc R U . . .
C17 C 0.3219(3) 0.4163(2) 0.6947(2) 0.0559(8) Uani 1 1 d . . . . .
H17 H 0.317971 0.474766 0.721536 0.067 Uiso 1 1 calc R U . . .
C18 C 0.4417(3) 0.37955(19) 0.6910(2) 0.0488(7) Uani 1 1 d . . . . .
H18 H 0.520112 0.412976 0.714260 0.059 Uiso 1 1 calc R U . . .
C19 C 0.5958(3) 0.12110(17) 0.65040(18) 0.0412(6) Uani 1 1 d . . . . .
H19A H 0.512843 0.098125 0.611195 0.049 Uiso 1 1 calc R U . . .
H19B H 0.669374 0.094263 0.628359 0.049 Uiso 1 1 calc R U . . .
C20 C 0.6053(3) 0.09045(17) 0.74717(18) 0.0429(6) Uani 1 1 d . . . . .
C21 C 0.7242(3) 0.0590(2) 0.7982(2) 0.0519(7) Uani 1 1 d . . . . .
H21 H 0.797951 0.055533 0.771978 0.062 Uiso 1 1 calc R U . . .
C22 C 0.7360(3) 0.0326(2) 0.8878(2) 0.0628(9) Uani 1 1 d . . . . .
H22 H 0.817466 0.010095 0.922433 0.075 Uiso 1 1 calc R U . . .
C23 C 0.6297(4) 0.0390(2) 0.9265(2) 0.0674(10) Uani 1 1 d . . . . .
H23 H 0.638288 0.022274 0.988231 0.081 Uiso 1 1 calc R U . . .
C24 C 0.5107(4) 0.0698(2) 0.8754(2) 0.0660(9) Uani 1 1 d . . . . .
H24 H 0.437401 0.074005 0.902054 0.079 Uiso 1 1 calc R U . . .
C25 C 0.4977(3) 0.0946(2) 0.7858(2) 0.0538(7) Uani 1 1 d . . . . .
H25 H 0.415095 0.114453 0.750488 0.065 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 Cl1 2.1670(13) . ?
Sb1 Cl1 2.1670(13) 3_667 ?
Sb1 Cl2 2.6219(6) 3_667 ?
Sb1 Cl2 2.6218(6) . ?
Sb1 Cl3 2.6135(7) . ?
Sb1 Cl3 2.6136(7) 3_667 ?
P1 C1 1.800(3) . ?
P1 C7 1.797(3) . ?
P1 C13 1.799(3) . ?
P1 C19 1.821(3) . ?
C1 C2 1.389(4) . ?
C1 C6 1.385(4) . ?
C2 H2 0.9500 . ?
C2 C3 1.389(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.372(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.372(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.387(4) . ?
C6 H6 0.9500 . ?
C7 C8 1.397(4) . ?
C7 C12 1.391(4) . ?
C8 H8 0.9500 . ?
C8 C9 1.384(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.370(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.375(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.386(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.394(4) . ?
C13 C18 1.397(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.378(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.377(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.379(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.379(4) . ?
C18 H18 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.514(4) . ?
C20 C21 1.382(4) . ?
C20 C25 1.389(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.388(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.380(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.380(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.382(4) . ?
C25 H25 0.9500 . ?

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
Cl1 Sb1 Cl1 180.0 . 3_667 ?
Cl1 Sb1 Cl2 90.02(4) 3_667 3_667 ?
Cl1 Sb1 Cl2 89.98(4) . 3_667 ?
Cl1 Sb1 Cl2 89.98(4) 3_667 . ?
Cl1 Sb1 Cl2 90.02(4) . . ?
Cl1 Sb1 Cl3 93.36(4) . . ?
Cl1 Sb1 Cl3 86.64(4) 3_667 . ?
Cl1 Sb1 Cl3 93.36(4) 3_667 3_667 ?
Cl1 Sb1 Cl3 86.64(4) . 3_667 ?
Cl2 Sb1 Cl2 180.0 . 3_667 ?
Cl3 Sb1 Cl2 89.61(2) 3_667 . ?
Cl3 Sb1 Cl2 89.61(2) . 3_667 ?
Cl3 Sb1 Cl2 90.39(2) 3_667 3_667 ?
Cl3 Sb1 Cl2 90.39(2) . . ?
Cl3 Sb1 Cl3 180.0 . 3_667 ?
C1 P1 C19 110.33(12) . . ?
C7 P1 C1 110.67(13) . . ?
C7 P1 C13 108.47(12) . . ?
C7 P1 C19 109.19(12) . . ?
C13 P1 C1 108.62(13) . . ?
C13 P1 C19 109.51(13) . . ?
C2 C1 P1 118.7(2) . . ?
C6 C1 P1 121.8(2) . . ?
C6 C1 C2 119.5(3) . . ?
C1 C2 H2 120.0 . . ?
C1 C2 C3 120.0(3) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0(3) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.9 . . ?
C5 C4 C3 120.3(3) . . ?
C5 C4 H4 119.9 . . ?
C4 C5 H5 119.8 . . ?
C4 C5 C6 120.4(3) . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 119.8(3) . . ?
C1 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C8 C7 P1 119.7(2) . . ?
C12 C7 P1 120.7(2) . . ?
C12 C7 C8 119.6(2) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 C7 119.7(3) . . ?
C9 C8 H8 120.2 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.4(3) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 119.8 . . ?
C9 C10 C11 120.3(3) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 119.8 . . ?
C10 C11 C12 120.4(3) . . ?
C12 C11 H11 119.8 . . ?
C7 C12 H12 120.2 . . ?
C11 C12 C7 119.6(3) . . ?
C11 C12 H12 120.2 . . ?
C14 C13 P1 119.8(2) . . ?
C14 C13 C18 119.3(3) . . ?
C18 C13 P1 120.9(2) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 C13 120.4(3) . . ?
C15 C14 H14 119.8 . . ?
C14 C15 H15 120.1 . . ?
C16 C15 C14 119.7(3) . . ?
C16 C15 H15 120.1 . . ?
C15 C16 H16 119.7 . . ?
C15 C16 C17 120.6(3) . . ?
C17 C16 H16 119.7 . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.2(3) . . ?
C18 C17 H17 119.9 . . ?
C13 C18 H18 120.1 . . ?
C17 C18 C13 119.7(3) . . ?
C17 C18 H18 120.1 . . ?
P1 C19 H19A 109.3 . . ?
P1 C19 H19B 109.3 . . ?
H19A C19 H19B 107.9 . . ?
C20 C19 P1 111.70(18) . . ?
C20 C19 H19A 109.3 . . ?
C20 C19 H19B 109.3 . . ?
C21 C20 C19 119.1(3) . . ?
C21 C20 C25 119.6(3) . . ?
C25 C20 C19 121.3(3) . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.1(3) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.1(3) . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.8(3) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 119.8 . . ?
C23 C24 C25 120.3(3) . . ?
C25 C24 H24 119.8 . . ?
C20 C25 H25 120.0 . . ?
C24 C25 C20 120.0(3) . . ?
C24 C25 H25 120.0 . . ?

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 C1 C2 C3 -175.6(2) . . . . ?
P1 C1 C6 C5 177.4(2) . . . . ?
P1 C7 C8 C9 179.6(2) . . . . ?
P1 C7 C12 C11 179.8(2) . . . . ?
P1 C13 C14 C15 -176.4(2) . . . . ?
P1 C13 C18 C17 176.8(2) . . . . ?
P1 C19 C20 C21 -100.9(3) . . . . ?
P1 C19 C20 C25 78.1(3) . . . . ?
C1 P1 C7 C8 -104.6(2) . . . . ?
C1 P1 C7 C12 75.5(2) . . . . ?
C1 P1 C13 C14 -154.4(2) . . . . ?
C1 P1 C13 C18 28.6(3) . . . . ?
C1 P1 C19 C20 45.7(2) . . . . ?
C1 C2 C3 C4 -2.4(5) . . . . ?
C2 C1 C6 C5 -1.1(4) . . . . ?
C2 C3 C4 C5 0.0(5) . . . . ?
C3 C4 C5 C6 1.9(5) . . . . ?
C4 C5 C6 C1 -1.3(4) . . . . ?
C6 C1 C2 C3 3.0(4) . . . . ?
C7 P1 C1 C2 157.0(2) . . . . ?
C7 P1 C1 C6 -21.6(3) . . . . ?
C7 P1 C13 C14 85.2(2) . . . . ?
C7 P1 C13 C18 -91.8(2) . . . . ?
C7 P1 C19 C20 167.59(19) . . . . ?
C7 C8 C9 C10 0.8(4) . . . . ?
C8 C7 C12 C11 0.0(4) . . . . ?
C8 C9 C10 C11 -0.5(5) . . . . ?
C9 C10 C11 C12 -0.1(5) . . . . ?
C10 C11 C12 C7 0.4(5) . . . . ?
C12 C7 C8 C9 -0.6(4) . . . . ?
C13 P1 C1 C2 38.0(3) . . . . ?
C13 P1 C1 C6 -140.5(2) . . . . ?
C13 P1 C7 C8 14.5(3) . . . . ?
C13 P1 C7 C12 -165.4(2) . . . . ?
C13 P1 C19 C20 -73.8(2) . . . . ?
C13 C14 C15 C16 0.3(5) . . . . ?
C14 C13 C18 C17 -0.2(4) . . . . ?
C14 C15 C16 C17 -1.6(5) . . . . ?
C15 C16 C17 C18 1.9(5) . . . . ?
C16 C17 C18 C13 -1.0(5) . . . . ?
C18 C13 C14 C15 0.6(4) . . . . ?
C19 P1 C1 C2 -82.0(2) . . . . ?
C19 P1 C1 C6 99.4(2) . . . . ?
C19 P1 C7 C8 133.7(2) . . . . ?
C19 P1 C7 C12 -46.1(3) . . . . ?
C19 P1 C13 C14 -33.9(3) . . . . ?
C19 P1 C13 C18 149.2(2) . . . . ?
C19 C20 C21 C22 178.5(3) . . . . ?
C19 C20 C25 C24 -177.2(3) . . . . ?
C20 C21 C22 C23 -1.0(5) . . . . ?
C21 C20 C25 C24 1.8(4) . . . . ?
C21 C22 C23 C24 1.5(5) . . . . ?
C22 C23 C24 C25 -0.2(5) . . . . ?
C23 C24 C25 C20 -1.4(5) . . . . ?
C25 C20 C21 C22 -0.6(4) . . . . ?

_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_CK
_audit_block_doi                 10.5517/ccdc.csd.cc2gqr43
_database_code_depnum_ccdc_archive 'CCDC 2285975'
loop_
_audit_author_name
_audit_author_address
'Meijuan Yin'
;northeastern university
China
;
_audit_update_record             
;
2023-08-01 deposited with the CCDC.	2023-08-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H40 Cl5 P2 Sb'
_chemical_formula_weight         881.66

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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.23120(10)
_cell_length_b                   10.29850(10)
_cell_length_c                   28.7642(4)
_cell_angle_alpha                91.1310(10)
_cell_angle_beta                 97.0070(10)
_cell_angle_gamma                100.2330(10)
_cell_volume                     2957.62(6)
_cell_formula_units_Z            3
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    34890
_cell_measurement_theta_min      2.0460
_cell_measurement_theta_max      31.6260

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.485
_exptl_crystal_F_000             1338
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    1.148
_shelx_estimated_absorpt_T_min   0.803
_shelx_estimated_absorpt_T_max   0.838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.71226
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            53935
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_av_R_equivalents  0.0250
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_theta_min         2.039
_diffrn_reflns_theta_max         31.838
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.858
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.858
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.858
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             17391
_reflns_number_gt                14965
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0220P)²+1.5008P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17391
_refine_ls_number_parameters     658
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0274
_refine_ls_wR_factor_ref         0.0616
_refine_ls_wR_factor_gt          0.0594
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.63952(2) 0.96494(2) 0.66644(2) 0.01583(3) Uani 1 1 d . . . . .
Cl1 Cl 0.52859(4) 0.75984(4) 0.69146(2) 0.02226(8) Uani 1 1 d . . . . .
Cl2 Cl 0.85792(4) 0.87292(5) 0.68476(2) 0.02914(10) Uani 1 1 d . . . . .
Cl3 Cl 0.60204(4) 0.84313(4) 0.58086(2) 0.02070(8) Uani 1 1 d . . . . .
Cl4 Cl 0.40281(4) 1.02619(4) 0.64564(2) 0.02483(9) Uani 1 1 d . . . . .
Cl5 Cl 0.66540(5) 1.05646(5) 0.75137(2) 0.02822(9) Uani 1 1 d . . . . .
Sb2 Sb 0.000000 0.000000 1.000000 0.02389(4) Uani 1 2 d S . P . .
Cl6 Cl -0.15850(7) 0.12234(8) 1.00614(3) 0.01846(14) Uani 0.5 1 d . . P . .
Cl7 Cl -0.05248(4) -0.03085(4) 0.90904(2) 0.02239(8) Uani 1 1 d . . . . .
Cl8 Cl 0.17159(4) 0.21177(4) 0.98929(2) 0.02134(8) Uani 1 1 d . . . . .
P1 P 0.78726(4) 1.20758(4) 0.50655(2) 0.01399(7) Uani 1 1 d . . . . .
C1 C 0.68126(15) 1.31135(16) 0.52728(5) 0.0164(3) Uani 1 1 d . . . . .
C2 C 0.58452(16) 1.25755(17) 0.55551(6) 0.0196(3) Uani 1 1 d . . . . .
H2 H 0.568531 1.165475 0.560499 0.024 Uiso 1 1 calc R U . . .
C3 C 0.51195(17) 1.34024(19) 0.57622(6) 0.0245(4) Uani 1 1 d . . . . .
H3 H 0.445414 1.304413 0.595073 0.029 Uiso 1 1 calc R U . . .
C4 C 0.53690(18) 1.47481(19) 0.56928(6) 0.0260(4) Uani 1 1 d . . . . .
H4 H 0.488042 1.530861 0.583837 0.031 Uiso 1 1 calc R U . . .
C5 C 0.63251(18) 1.52856(18) 0.54130(6) 0.0250(4) Uani 1 1 d . . . . .
H5 H 0.648550 1.620775 0.536573 0.030 Uiso 1 1 calc R U . . .
C6 C 0.70452(17) 1.44676(17) 0.52026(6) 0.0208(3) Uani 1 1 d . . . . .
H6 H 0.769834 1.483099 0.501016 0.025 Uiso 1 1 calc R U . . .
C7 C 0.85441(16) 1.26914(15) 0.45469(5) 0.0163(3) Uani 1 1 d . . . . .
C8 C 0.76389(16) 1.29074(16) 0.41626(6) 0.0199(3) Uani 1 1 d . . . . .
H8 H 0.671370 1.283171 0.419167 0.024 Uiso 1 1 calc R U . . .
C9 C 0.81059(18) 1.32332(17) 0.37384(6) 0.0230(3) Uani 1 1 d . . . . .
H9 H 0.749943 1.339296 0.347754 0.028 Uiso 1 1 calc R U . . .
C10 C 0.94544(18) 1.33262(18) 0.36944(6) 0.0244(4) Uani 1 1 d . . . . .
H10 H 0.976744 1.356317 0.340455 0.029 Uiso 1 1 calc R U . . .
C11 C 1.03469(18) 1.30773(18) 0.40684(6) 0.0247(4) Uani 1 1 d . . . . .
H11 H 1.126508 1.312385 0.403318 0.030 Uiso 1 1 calc R U . . .
C12 C 0.98982(16) 1.27587(17) 0.44961(6) 0.0205(3) Uani 1 1 d . . . . .
H12 H 1.050939 1.258688 0.475358 0.025 Uiso 1 1 calc R U . . .
C13 C 0.92173(15) 1.20586(16) 0.55295(5) 0.0155(3) Uani 1 1 d . . . . .
C14 C 1.01808(16) 1.32091(17) 0.56380(6) 0.0200(3) Uani 1 1 d . . . . .
H14 H 1.012401 1.397864 0.546552 0.024 Uiso 1 1 calc R U . . .
C15 C 1.12159(17) 1.32187(18) 0.59977(6) 0.0231(3) Uani 1 1 d . . . . .
H15 H 1.187521 1.399364 0.606914 0.028 Uiso 1 1 calc R U . . .
C16 C 1.12934(17) 1.21019(18) 0.62540(6) 0.0220(3) Uani 1 1 d . . . . .
H16 H 1.201644 1.210783 0.649547 0.026 Uiso 1 1 calc R U . . .
C17 C 1.03184(17) 1.09768(18) 0.61588(6) 0.0215(3) Uani 1 1 d . . . . .
H17 H 1.036346 1.022200 0.634054 0.026 Uiso 1 1 calc R U . . .
C18 C 0.92749(16) 1.09490(16) 0.57982(5) 0.0182(3) Uani 1 1 d . . . . .
H18 H 0.860424 1.017959 0.573483 0.022 Uiso 1 1 calc R U . . .
C19 C 0.69187(16) 1.04499(15) 0.49210(6) 0.0168(3) Uani 1 1 d . . . . .
H19A H 0.658182 1.007392 0.520703 0.020 Uiso 1 1 calc R U . . .
H19B H 0.613360 1.051594 0.469066 0.020 Uiso 1 1 calc R U . . .
C20 C 0.77268(18) 0.95127(17) 0.47174(6) 0.0230(3) Uani 1 1 d . . . . .
H20A H 0.793953 0.980108 0.440831 0.035 Uiso 1 1 calc R U . . .
H20B H 0.719972 0.861558 0.468637 0.035 Uiso 1 1 calc R U . . .
H20C H 0.855908 0.952085 0.492685 0.035 Uiso 1 1 calc R U . . .
P2 P -0.06939(4) 0.64094(4) 0.80191(2) 0.01315(7) Uani 1 1 d . . . . .
C21 C 0.09971(15) 0.72561(15) 0.80078(5) 0.0149(3) Uani 1 1 d . . . . .
C22 C 0.12836(16) 0.78951(17) 0.75951(6) 0.0194(3) Uani 1 1 d . . . . .
H22 H 0.059340 0.788802 0.734171 0.023 Uiso 1 1 calc R U . . .
C23 C 0.25792(17) 0.85370(17) 0.75589(6) 0.0226(3) Uani 1 1 d . . . . .
H23 H 0.277655 0.897323 0.728108 0.027 Uiso 1 1 calc R U . . .
C24 C 0.35857(16) 0.85393(17) 0.79301(6) 0.0227(3) Uani 1 1 d . . . . .
H24 H 0.447344 0.897087 0.790408 0.027 Uiso 1 1 calc R U . . .
C25 C 0.33019(16) 0.79165(17) 0.83374(6) 0.0227(3) Uani 1 1 d . . . . .
H25 H 0.399605 0.792627 0.858972 0.027 Uiso 1 1 calc R U . . .
C26 C 0.20060(16) 0.72750(16) 0.83804(6) 0.0186(3) Uani 1 1 d . . . . .
H26 H 0.181306 0.685456 0.866151 0.022 Uiso 1 1 calc R U . . .
C27 C -0.08209(15) 0.54544(15) 0.85349(5) 0.0147(3) Uani 1 1 d . . . . .
C28 C -0.06556(17) 0.61215(17) 0.89711(6) 0.0201(3) Uani 1 1 d . . . . .
H28 H -0.047135 0.705946 0.899214 0.024 Uiso 1 1 calc R U . . .
C29 C -0.07613(18) 0.54088(19) 0.93755(6) 0.0244(4) Uani 1 1 d . . . . .
H29 H -0.066290 0.586033 0.967245 0.029 Uiso 1 1 calc R U . . .
C30 C -0.10108(17) 0.40373(18) 0.93445(6) 0.0239(4) Uani 1 1 d . . . . .
H30 H -0.105928 0.355309 0.962148 0.029 Uiso 1 1 calc R U . . .
C31 C -0.11893(16) 0.33720(17) 0.89118(6) 0.0218(3) Uani 1 1 d . . . . .
H31 H -0.136389 0.243390 0.889306 0.026 Uiso 1 1 calc R U . . .
C32 C -0.11137(15) 0.40740(16) 0.85038(6) 0.0182(3) Uani 1 1 d . . . . .
H32 H -0.126005 0.361789 0.820645 0.022 Uiso 1 1 calc R U . . .
C33 C -0.10868(15) 0.53090(16) 0.75107(5) 0.0165(3) Uani 1 1 d . . . . .
C34 C -0.02275(18) 0.44252(18) 0.74457(6) 0.0241(4) Uani 1 1 d . . . . .
H34 H 0.054855 0.443382 0.766463 0.029 Uiso 1 1 calc R U . . .
C35 C -0.0503(2) 0.3536(2) 0.70630(7) 0.0322(4) Uani 1 1 d . . . . .
H35 H 0.006884 0.292035 0.702331 0.039 Uiso 1 1 calc R U . . .
C36 C -0.1619(2) 0.3552(2) 0.67388(7) 0.0355(5) Uani 1 1 d . . . . .
H36 H -0.181059 0.294530 0.647590 0.043 Uiso 1 1 calc R U . . .
C37 C -0.2452(2) 0.4442(2) 0.67954(6) 0.0338(5) Uani 1 1 d . . . . .
H37 H -0.320467 0.445437 0.656802 0.041 Uiso 1 1 calc R U . . .
C38 C -0.22003(17) 0.53246(18) 0.71829(6) 0.0234(3) Uani 1 1 d . . . . .
H38 H -0.278291 0.592968 0.722251 0.028 Uiso 1 1 calc R U . . .
C39 C -0.17836(15) 0.76044(16) 0.80198(6) 0.0171(3) Uani 1 1 d . . . . .
H39A H -0.135215 0.834114 0.824448 0.021 Uiso 1 1 calc R U . . .
H39B H -0.188197 0.796987 0.770431 0.021 Uiso 1 1 calc R U . . .
C40 C -0.31800(17) 0.7064(2) 0.81487(7) 0.0267(4) Uani 1 1 d . . . . .
H40A H -0.358526 0.627991 0.794827 0.040 Uiso 1 1 calc R U . . .
H40B H -0.374153 0.774027 0.810267 0.040 Uiso 1 1 calc R U . . .
H40C H -0.310702 0.682485 0.847778 0.040 Uiso 1 1 calc R U . . .
P3 P 0.33552(4) 0.27644(4) 0.85981(2) 0.01450(8) Uani 1 1 d . . . . .
C41 C 0.37255(15) 0.33286(15) 0.80329(5) 0.0152(3) Uani 1 1 d . . . . .
C42 C 0.40586(17) 0.25166(16) 0.76876(6) 0.0202(3) Uani 1 1 d . . . . .
H42 H 0.416567 0.163791 0.775245 0.024 Uiso 1 1 calc R U . . .
C43 C 0.42318(18) 0.30089(18) 0.72474(6) 0.0242(4) Uani 1 1 d . . . . .
H43 H 0.448945 0.247368 0.701446 0.029 Uiso 1 1 calc R U . . .
C44 C 0.40311(17) 0.42725(17) 0.71473(6) 0.0215(3) Uani 1 1 d . . . . .
H44 H 0.414404 0.459599 0.684505 0.026 Uiso 1 1 calc R U . . .
C45 C 0.36659(16) 0.50713(16) 0.74850(6) 0.0201(3) Uani 1 1 d . . . . .
H45 H 0.350844 0.593044 0.741212 0.024 Uiso 1 1 calc R U . . .
C46 C 0.35318(16) 0.46086(16) 0.79299(6) 0.0171(3) Uani 1 1 d . . . . .
H46 H 0.330823 0.516178 0.816491 0.021 Uiso 1 1 calc R U . . .
C47 C 0.42782(16) 0.15125(15) 0.88008(5) 0.0176(3) Uani 1 1 d . . . . .
C48 C 0.38131(19) 0.07424(17) 0.91622(6) 0.0246(4) Uani 1 1 d . . . . .
H48 H 0.298370 0.081731 0.926741 0.030 Uiso 1 1 calc R U . . .
C49 C 0.4579(2) -0.01341(18) 0.93657(6) 0.0304(4) Uani 1 1 d . . . . .
H49 H 0.427602 -0.064989 0.961482 0.036 Uiso 1 1 calc R U . . .
C50 C 0.57760(19) -0.02642(18) 0.92101(7) 0.0290(4) Uani 1 1 d . . . . .
H50 H 0.629353 -0.086137 0.935412 0.035 Uiso 1 1 calc R U . . .
C51 C 0.62243(17) 0.04755(18) 0.88439(7) 0.0275(4) Uani 1 1 d . . . . .
H51 H 0.703440 0.036631 0.873098 0.033 Uiso 1 1 calc R U . . .
C52 C 0.54839(16) 0.13780(17) 0.86424(6) 0.0226(3) Uani 1 1 d . . . . .
H52 H 0.580004 0.190203 0.839712 0.027 Uiso 1 1 calc R U . . .
C53 C 0.38167(16) 0.41672(15) 0.90060(5) 0.0171(3) Uani 1 1 d . . . . .
C54 C 0.51768(17) 0.47363(17) 0.90962(6) 0.0216(3) Uani 1 1 d . . . . .
H54 H 0.581751 0.437940 0.894515 0.026 Uiso 1 1 calc R U . . .
C55 C 0.55858(19) 0.58208(18) 0.94062(6) 0.0252(4) Uani 1 1 d . . . . .
H55 H 0.650683 0.621133 0.946667 0.030 Uiso 1 1 calc R U . . .
C56 C 0.46470(19) 0.63356(17) 0.96281(6) 0.0249(4) Uani 1 1 d . . . . .
H56 H 0.492834 0.707413 0.984266 0.030 Uiso 1 1 calc R U . . .
C57 C 0.33024(19) 0.57763(17) 0.95379(6) 0.0249(4) Uani 1 1 d . . . . .
H57 H 0.266481 0.613853 0.968883 0.030 Uiso 1 1 calc R U . . .
C58 C 0.28781(17) 0.46851(16) 0.92270(6) 0.0200(3) Uani 1 1 d . . . . .
H58 H 0.195570 0.429959 0.916683 0.024 Uiso 1 1 calc R U . . .
C59 C 0.15800(16) 0.21654(16) 0.85486(6) 0.0190(3) Uani 1 1 d . . . . .
H59A H 0.134802 0.183607 0.885452 0.023 Uiso 1 1 calc R U . . .
H59B H 0.110412 0.290705 0.847341 0.023 Uiso 1 1 calc R U . . .
C60 C 0.10967(18) 0.10580(19) 0.81717(6) 0.0277(4) Uani 1 1 d . . . . .
H60A H 0.137264 0.135912 0.787148 0.042 Uiso 1 1 calc R U . . .
H60B H 0.011818 0.082159 0.814083 0.042 Uiso 1 1 calc R U . . .
H60C H 0.148983 0.028397 0.826131 0.042 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 Cl1 2.3823(4) . ?
Sb1 Cl5 2.5669(4) . ?
Sb1 Cl2 2.5794(4) . ?
Sb1 Cl4 2.6125(4) . ?
Sb1 Cl3 2.6939(4) . ?
Sb2 Cl6 2.2440(8) 2_557 ?
Sb2 Cl6 2.2440(8) . ?
Sb2 Cl8 2.5945(4) . ?
Sb2 Cl8 2.5945(4) 2_557 ?
Sb2 Cl7 2.6073(4) 2_557 ?
Sb2 Cl7 2.6074(4) . ?
P1 C1 1.7940(16) . ?
P1 C19 1.7950(16) . ?
P1 C7 1.7978(15) . ?
P1 C13 1.7987(16) . ?
C1 C6 1.395(2) . ?
C1 C2 1.402(2) . ?
C2 C3 1.394(2) . ?
C2 H2 0.9500 . ?
C3 C4 1.387(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.388(2) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.400(2) . ?
C7 C8 1.401(2) . ?
C8 C9 1.390(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.387(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.383(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.390(2) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.398(2) . ?
C13 C14 1.403(2) . ?
C14 C15 1.386(2) . ?
C14 H14 0.9500 . ?
C15 C16 1.387(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.387(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.391(2) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.529(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
P2 C33 1.7927(16) . ?
P2 C21 1.7981(15) . ?
P2 C27 1.8013(15) . ?
P2 C39 1.8016(16) . ?
C21 C26 1.392(2) . ?
C21 C22 1.406(2) . ?
C22 C23 1.389(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.390(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.384(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.393(2) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.396(2) . ?
C27 C32 1.399(2) . ?
C28 C29 1.393(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.389(3) . ?
C29 H29 0.9500 . ?
C30 C31 1.385(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.393(2) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C38 1.390(2) . ?
C33 C34 1.398(2) . ?
C34 C35 1.387(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.386(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.378(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.393(3) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.531(2) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
P3 C47 1.7950(16) . ?
P3 C41 1.7980(15) . ?
P3 C59 1.7986(16) . ?
P3 C53 1.8007(17) . ?
C41 C42 1.397(2) . ?
C41 C46 1.400(2) . ?
C42 C43 1.393(2) . ?
C42 H42 0.9500 . ?
C43 C44 1.383(2) . ?
C43 H43 0.9500 . ?
C44 C45 1.388(2) . ?
C44 H44 0.9500 . ?
C45 C46 1.388(2) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C52 1.394(2) . ?
C47 C48 1.398(2) . ?
C48 C49 1.390(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.381(3) . ?
C49 H49 0.9500 . ?
C50 C51 1.388(3) . ?
C50 H50 0.9500 . ?
C51 C52 1.392(2) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C58 1.389(2) . ?
C53 C54 1.401(2) . ?
C54 C55 1.386(2) . ?
C54 H54 0.9500 . ?
C55 C56 1.389(3) . ?
C55 H55 0.9500 . ?
C56 C57 1.385(3) . ?
C56 H56 0.9500 . ?
C57 C58 1.394(2) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C60 1.530(2) . ?
C59 H59A 0.9900 . ?
C59 H59B 0.9900 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?

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
Cl1 Sb1 Cl5 88.502(15) . . ?
Cl1 Sb1 Cl2 86.227(15) . . ?
Cl5 Sb1 Cl2 89.924(15) . . ?
Cl1 Sb1 Cl4 87.237(14) . . ?
Cl5 Sb1 Cl4 93.512(14) . . ?
Cl2 Sb1 Cl4 172.533(16) . . ?
Cl1 Sb1 Cl3 85.314(14) . . ?
Cl5 Sb1 Cl3 173.771(14) . . ?
Cl2 Sb1 Cl3 88.920(14) . . ?
Cl4 Sb1 Cl3 86.951(13) . . ?
Cl6 Sb2 Cl6 180.0 2_557 . ?
Cl6 Sb2 Cl8 89.83(2) 2_557 . ?
Cl6 Sb2 Cl8 90.17(2) . . ?
Cl6 Sb2 Cl8 90.17(2) 2_557 2_557 ?
Cl6 Sb2 Cl8 89.83(2) . 2_557 ?
Cl8 Sb2 Cl8 180.000(15) . 2_557 ?
Cl6 Sb2 Cl7 93.95(2) 2_557 2_557 ?
Cl6 Sb2 Cl7 86.05(2) . 2_557 ?
Cl8 Sb2 Cl7 91.089(13) . 2_557 ?
Cl8 Sb2 Cl7 88.911(13) 2_557 2_557 ?
Cl6 Sb2 Cl7 86.05(2) 2_557 . ?
Cl6 Sb2 Cl7 93.95(2) . . ?
Cl8 Sb2 Cl7 88.911(13) . . ?
Cl8 Sb2 Cl7 91.089(13) 2_557 . ?
Cl7 Sb2 Cl7 179.999(18) 2_557 . ?
C1 P1 C19 109.44(7) . . ?
C1 P1 C7 111.63(7) . . ?
C19 P1 C7 107.76(7) . . ?
C1 P1 C13 106.77(7) . . ?
C19 P1 C13 111.61(7) . . ?
C7 P1 C13 109.67(7) . . ?
C6 C1 C2 119.93(15) . . ?
C6 C1 P1 120.73(12) . . ?
C2 C1 P1 118.91(12) . . ?
C3 C2 C1 119.48(16) . . ?
C3 C2 H2 120.3 . . ?
C1 C2 H2 120.3 . . ?
C4 C3 C2 119.99(16) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.75(16) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 119.63(17) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C1 120.22(16) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
C12 C7 C8 119.87(14) . . ?
C12 C7 P1 121.56(12) . . ?
C8 C7 P1 117.82(12) . . ?
C9 C8 C7 119.43(15) . . ?
C9 C8 H8 120.3 . . ?
C7 C8 H8 120.3 . . ?
C10 C9 C8 120.25(16) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C11 C10 C9 120.61(15) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 119.88(16) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C7 119.92(16) . . ?
C11 C12 H12 120.0 . . ?
C7 C12 H12 120.0 . . ?
C18 C13 C14 119.74(15) . . ?
C18 C13 P1 121.22(12) . . ?
C14 C13 P1 118.94(12) . . ?
C15 C14 C13 119.76(16) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C14 C15 C16 120.29(16) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C17 C16 C15 120.19(16) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 120.25(16) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C17 C18 C13 119.70(15) . . ?
C17 C18 H18 120.2 . . ?
C13 C18 H18 120.2 . . ?
C20 C19 P1 113.09(11) . . ?
C20 C19 H19A 109.0 . . ?
P1 C19 H19A 109.0 . . ?
C20 C19 H19B 109.0 . . ?
P1 C19 H19B 109.0 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C33 P2 C21 106.10(7) . . ?
C33 P2 C27 108.88(7) . . ?
C21 P2 C27 110.76(7) . . ?
C33 P2 C39 112.75(8) . . ?
C21 P2 C39 109.20(7) . . ?
C27 P2 C39 109.12(7) . . ?
C26 C21 C22 120.10(14) . . ?
C26 C21 P2 122.97(12) . . ?
C22 C21 P2 116.93(12) . . ?
C23 C22 C21 119.81(15) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 119.83(16) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C25 C24 C23 120.36(15) . . ?
C25 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C24 C25 C26 120.52(16) . . ?
C24 C25 H25 119.7 . . ?
C26 C25 H25 119.7 . . ?
C21 C26 C25 119.39(15) . . ?
C21 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C28 C27 C32 120.02(14) . . ?
C28 C27 P2 118.58(12) . . ?
C32 C27 P2 121.38(12) . . ?
C29 C28 C27 119.84(16) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C30 C29 C28 119.96(16) . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C31 C30 C29 120.35(15) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 120.23(16) . . ?
C30 C31 H31 119.9 . . ?
C32 C31 H31 119.9 . . ?
C31 C32 C27 119.56(16) . . ?
C31 C32 H32 120.2 . . ?
C27 C32 H32 120.2 . . ?
C38 C33 C34 119.88(16) . . ?
C38 C33 P2 122.00(13) . . ?
C34 C33 P2 118.11(12) . . ?
C35 C34 C33 120.29(17) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C36 C35 C34 119.50(19) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C37 C36 C35 120.43(18) . . ?
C37 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C36 C37 C38 120.65(18) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
C33 C38 C37 119.21(18) . . ?
C33 C38 H38 120.4 . . ?
C37 C38 H38 120.4 . . ?
C40 C39 P2 114.69(12) . . ?
C40 C39 H39A 108.6 . . ?
P2 C39 H39A 108.6 . . ?
C40 C39 H39B 108.6 . . ?
P2 C39 H39B 108.6 . . ?
H39A C39 H39B 107.6 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C47 P3 C41 112.55(7) . . ?
C47 P3 C59 111.18(8) . . ?
C41 P3 C59 107.23(7) . . ?
C47 P3 C53 108.43(7) . . ?
C41 P3 C53 107.31(7) . . ?
C59 P3 C53 110.07(8) . . ?
C42 C41 C46 119.92(14) . . ?
C42 C41 P3 123.23(12) . . ?
C46 C41 P3 116.53(12) . . ?
C43 C42 C41 119.31(15) . . ?
C43 C42 H42 120.3 . . ?
C41 C42 H42 120.3 . . ?
C44 C43 C42 120.41(16) . . ?
C44 C43 H43 119.8 . . ?
C42 C43 H43 119.8 . . ?
C43 C44 C45 120.51(15) . . ?
C43 C44 H44 119.7 . . ?
C45 C44 H44 119.7 . . ?
C44 C45 C46 119.67(15) . . ?
C44 C45 H45 120.2 . . ?
C46 C45 H45 120.2 . . ?
C45 C46 C41 120.12(15) . . ?
C45 C46 H46 119.9 . . ?
C41 C46 H46 119.9 . . ?
C52 C47 C48 120.04(15) . . ?
C52 C47 P3 122.33(12) . . ?
C48 C47 P3 117.35(13) . . ?
C49 C48 C47 119.18(17) . . ?
C49 C48 H48 120.4 . . ?
C47 C48 H48 120.4 . . ?
C50 C49 C48 120.79(17) . . ?
C50 C49 H49 119.6 . . ?
C48 C49 H49 119.6 . . ?
C49 C50 C51 120.15(16) . . ?
C49 C50 H50 119.9 . . ?
C51 C50 H50 119.9 . . ?
C50 C51 C52 119.83(18) . . ?
C50 C51 H51 120.1 . . ?
C52 C51 H51 120.1 . . ?
C51 C52 C47 119.97(16) . . ?
C51 C52 H52 120.0 . . ?
C47 C52 H52 120.0 . . ?
C58 C53 C54 120.19(16) . . ?
C58 C53 P3 122.27(13) . . ?
C54 C53 P3 117.54(13) . . ?
C55 C54 C53 119.90(16) . . ?
C55 C54 H54 120.1 . . ?
C53 C54 H54 120.1 . . ?
C54 C55 C56 119.88(17) . . ?
C54 C55 H55 120.1 . . ?
C56 C55 H55 120.1 . . ?
C57 C56 C55 120.24(17) . . ?
C57 C56 H56 119.9 . . ?
C55 C56 H56 119.9 . . ?
C56 C57 C58 120.44(16) . . ?
C56 C57 H57 119.8 . . ?
C58 C57 H57 119.8 . . ?
C53 C58 C57 119.36(16) . . ?
C53 C58 H58 120.3 . . ?
C57 C58 H58 120.3 . . ?
C60 C59 P3 112.85(12) . . ?
C60 C59 H59A 109.0 . . ?
P3 C59 H59A 109.0 . . ?
C60 C59 H59B 109.0 . . ?
P3 C59 H59B 109.0 . . ?
H59A C59 H59B 107.8 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 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
C19 P1 C1 C6 -149.64(13) . . . . ?
C7 P1 C1 C6 -30.44(15) . . . . ?
C13 P1 C1 C6 89.41(14) . . . . ?
C19 P1 C1 C2 37.90(15) . . . . ?
C7 P1 C1 C2 157.10(12) . . . . ?
C13 P1 C1 C2 -83.05(14) . . . . ?
C6 C1 C2 C3 0.2(2) . . . . ?
P1 C1 C2 C3 172.75(12) . . . . ?
C1 C2 C3 C4 -0.8(2) . . . . ?
C2 C3 C4 C5 0.9(3) . . . . ?
C3 C4 C5 C6 -0.4(3) . . . . ?
C4 C5 C6 C1 -0.2(2) . . . . ?
C2 C1 C6 C5 0.3(2) . . . . ?
P1 C1 C6 C5 -172.12(13) . . . . ?
C1 P1 C7 C12 134.65(14) . . . . ?
C19 P1 C7 C12 -105.16(14) . . . . ?
C13 P1 C7 C12 16.52(16) . . . . ?
C1 P1 C7 C8 -55.31(15) . . . . ?
C19 P1 C7 C8 64.88(15) . . . . ?
C13 P1 C7 C8 -173.44(13) . . . . ?
C12 C7 C8 C9 -2.3(2) . . . . ?
P1 C7 C8 C9 -172.50(13) . . . . ?
C7 C8 C9 C10 0.9(3) . . . . ?
C8 C9 C10 C11 1.0(3) . . . . ?
C9 C10 C11 C12 -1.4(3) . . . . ?
C10 C11 C12 C7 0.0(3) . . . . ?
C8 C7 C12 C11 1.9(3) . . . . ?
P1 C7 C12 C11 171.71(14) . . . . ?
C1 P1 C13 C18 106.56(13) . . . . ?
C19 P1 C13 C18 -13.00(15) . . . . ?
C7 P1 C13 C18 -132.34(13) . . . . ?
C1 P1 C13 C14 -69.90(14) . . . . ?
C19 P1 C13 C14 170.55(12) . . . . ?
C7 P1 C13 C14 51.20(14) . . . . ?
C18 C13 C14 C15 2.8(2) . . . . ?
P1 C13 C14 C15 179.30(13) . . . . ?
C13 C14 C15 C16 -0.8(2) . . . . ?
C14 C15 C16 C17 -1.4(2) . . . . ?
C15 C16 C17 C18 1.6(2) . . . . ?
C16 C17 C18 C13 0.4(2) . . . . ?
C14 C13 C18 C17 -2.6(2) . . . . ?
P1 C13 C18 C17 -179.05(12) . . . . ?
C1 P1 C19 C20 177.12(11) . . . . ?
C7 P1 C19 C20 55.56(13) . . . . ?
C13 P1 C19 C20 -64.91(13) . . . . ?
C33 P2 C21 C26 -125.14(14) . . . . ?
C27 P2 C21 C26 -7.13(16) . . . . ?
C39 P2 C21 C26 113.07(14) . . . . ?
C33 P2 C21 C22 53.58(14) . . . . ?
C27 P2 C21 C22 171.59(12) . . . . ?
C39 P2 C21 C22 -68.21(14) . . . . ?
C26 C21 C22 C23 0.5(2) . . . . ?
P2 C21 C22 C23 -178.26(13) . . . . ?
C21 C22 C23 C24 0.3(3) . . . . ?
C22 C23 C24 C25 -0.6(3) . . . . ?
C23 C24 C25 C26 0.2(3) . . . . ?
C22 C21 C26 C25 -0.9(2) . . . . ?
P2 C21 C26 C25 177.81(13) . . . . ?
C24 C25 C26 C21 0.5(3) . . . . ?
C33 P2 C27 C28 -175.16(12) . . . . ?
C21 P2 C27 C28 68.54(14) . . . . ?
C39 P2 C27 C28 -51.71(14) . . . . ?
C33 P2 C27 C32 3.16(15) . . . . ?
C21 P2 C27 C32 -113.14(13) . . . . ?
C39 P2 C27 C32 126.61(13) . . . . ?
C32 C27 C28 C29 1.0(2) . . . . ?
P2 C27 C28 C29 179.38(13) . . . . ?
C27 C28 C29 C30 1.0(3) . . . . ?
C28 C29 C30 C31 -1.6(3) . . . . ?
C29 C30 C31 C32 0.3(3) . . . . ?
C30 C31 C32 C27 1.7(2) . . . . ?
C28 C27 C32 C31 -2.4(2) . . . . ?
P2 C27 C32 C31 179.34(12) . . . . ?
C21 P2 C33 C38 -125.29(14) . . . . ?
C27 P2 C33 C38 115.46(14) . . . . ?
C39 P2 C33 C38 -5.80(16) . . . . ?
C21 P2 C33 C34 54.03(14) . . . . ?
C27 P2 C33 C34 -65.22(14) . . . . ?
C39 P2 C33 C34 173.53(12) . . . . ?
C38 C33 C34 C35 -2.0(3) . . . . ?
P2 C33 C34 C35 178.69(14) . . . . ?
C33 C34 C35 C36 1.6(3) . . . . ?
C34 C35 C36 C37 -0.1(3) . . . . ?
C35 C36 C37 C38 -1.1(3) . . . . ?
C34 C33 C38 C37 0.8(3) . . . . ?
P2 C33 C38 C37 -179.90(14) . . . . ?
C36 C37 C38 C33 0.8(3) . . . . ?
C33 P2 C39 C40 76.55(14) . . . . ?
C21 P2 C39 C40 -165.76(12) . . . . ?
C27 P2 C39 C40 -44.57(14) . . . . ?
C47 P3 C41 C42 32.15(16) . . . . ?
C59 P3 C41 C42 -90.42(15) . . . . ?
C53 P3 C41 C42 151.36(14) . . . . ?
C47 P3 C41 C46 -154.28(12) . . . . ?
C59 P3 C41 C46 83.15(13) . . . . ?
C53 P3 C41 C46 -35.07(14) . . . . ?
C46 C41 C42 C43 1.8(2) . . . . ?
P3 C41 C42 C43 175.21(13) . . . . ?
C41 C42 C43 C44 -2.2(3) . . . . ?
C42 C43 C44 C45 0.6(3) . . . . ?
C43 C44 C45 C46 1.5(3) . . . . ?
C44 C45 C46 C41 -1.9(2) . . . . ?
C42 C41 C46 C45 0.2(2) . . . . ?
P3 C41 C46 C45 -173.59(13) . . . . ?
C41 P3 C47 C52 23.79(17) . . . . ?
C59 P3 C47 C52 144.11(14) . . . . ?
C53 P3 C47 C52 -94.76(15) . . . . ?
C41 P3 C47 C48 -162.34(13) . . . . ?
C59 P3 C47 C48 -42.03(16) . . . . ?
C53 P3 C47 C48 79.11(15) . . . . ?
C52 C47 C48 C49 1.2(3) . . . . ?
P3 C47 C48 C49 -172.77(14) . . . . ?
C47 C48 C49 C50 -1.0(3) . . . . ?
C48 C49 C50 C51 -0.5(3) . . . . ?
C49 C50 C51 C52 1.9(3) . . . . ?
C50 C51 C52 C47 -1.6(3) . . . . ?
C48 C47 C52 C51 0.1(3) . . . . ?
P3 C47 C52 C51 173.77(14) . . . . ?
C47 P3 C53 C58 -123.64(14) . . . . ?
C41 P3 C53 C58 114.54(13) . . . . ?
C59 P3 C53 C58 -1.82(16) . . . . ?
C47 P3 C53 C54 56.47(14) . . . . ?
C41 P3 C53 C54 -65.36(14) . . . . ?
C59 P3 C53 C54 178.28(12) . . . . ?
C58 C53 C54 C55 -0.1(2) . . . . ?
P3 C53 C54 C55 179.78(13) . . . . ?
C53 C54 C55 C56 0.3(3) . . . . ?
C54 C55 C56 C57 -0.6(3) . . . . ?
C55 C56 C57 C58 0.6(3) . . . . ?
C54 C53 C58 C57 0.1(2) . . . . ?
P3 C53 C58 C57 -179.76(12) . . . . ?
C56 C57 C58 C53 -0.4(2) . . . . ?
C47 P3 C59 C60 -65.46(14) . . . . ?
C41 P3 C59 C60 57.96(14) . . . . ?
C53 P3 C59 C60 174.38(12) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C8 H8 Cl3 0.95 2.87 3.7643(17) 157.8 2_676 yes
C18 H18 Cl3 0.95 2.96 3.8433(17) 156.0 . yes
C19 H19A Cl3 0.99 2.49 3.4334(16) 159.2 . yes
C19 H19B Cl3 0.99 2.87 3.8158(16) 160.3 2_676 yes
C22 H22 Cl2 0.95 2.64 3.5333(17) 156.2 1_455 yes
C28 H28 Cl7 0.95 2.73 3.6629(17) 167.1 1_565 yes
C38 H38 Cl1 0.95 2.91 3.7975(19) 155.6 1_455 yes
C39 H39A Cl7 0.99 2.74 3.6809(17) 158.5 1_565 yes
C39 H39B Cl2 0.99 2.67 3.6272(16) 162.4 1_455 yes
C48 H48 Cl8 0.95 2.79 3.6179(18) 145.7 . yes
C59 H59A Cl7 0.99 2.81 3.5474(16) 132.0 . yes
C59 H59A Cl8 0.99 2.97 3.8540(17) 149.8 . yes

_refine_diff_density_max         1.175
_refine_diff_density_min         -1.760
_refine_diff_density_rms         0.074



