# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2429478'
loop_
_audit_author_name
_audit_author_address
'Jiliang Zhou'
;Sichuan University
China
;
_audit_update_record             
;
2025-03-07 deposited with the CCDC.	2025-05-08 downloaded from the CCDC.
;
_audit_creation_date             2024-12-30
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H25 N4 Sb'
_chemical_formula_sum            'C24 H25 N4 Sb'
_chemical_formula_weight         491.23
_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'
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      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                   12.2927(12)
_cell_length_b                   7.5486(7)
_cell_length_c                   23.983(2)
_cell_angle_alpha                90
_cell_angle_beta                 103.267(3)
_cell_angle_gamma                90
_cell_volume                     2166.1(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9859
_cell_measurement_temperature    158.00
_cell_measurement_theta_max      26.73
_cell_measurement_theta_min      2.84
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.291
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6323
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1278 before and 0.0779 after correction.
The Ratio of minimum to maximum transmission is 0.8483.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.506
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0876
_diffrn_reflns_av_unetI/netI     0.0420
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            42092
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.751
_diffrn_reflns_theta_min         2.140
_diffrn_ambient_temperature      158.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3737
_reflns_number_total             4617
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.214
_refine_diff_density_min         -0.874
_refine_diff_density_rms         0.119
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4617
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0486
_refine_ls_R_factor_gt           0.0340
_refine_ls_restrained_S_all      1.026
_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)+(0.0512P)²+3.0420P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0898
_refine_ls_wR_factor_ref         0.0990
_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.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C8(H8), C5(H5), C4(H4), C7(H7), C3(H3), C20(H20), C10(H10),
 C19(H19), C12(H12), C21(H21), C18(H18), C11(H11)
2.b Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C24(H24A,H24B,H24C), C23(H23A,H23B,
 H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.69394(2) 0.56171(3) 0.38055(2) 0.02176(9) Uani 1 1 d . . . . .
N3 N 0.5611(3) 0.2556(4) 0.45706(13) 0.0231(7) Uani 1 1 d . . . . .
N1 N 0.8450(2) 0.6734(4) 0.35344(13) 0.0219(6) Uani 1 1 d . . . . .
N2 N 0.5084(2) 0.4170(4) 0.34868(13) 0.0219(6) Uani 1 1 d . . . . .
N4 N 0.8983(3) 1.0289(4) 0.32462(14) 0.0267(7) Uani 1 1 d . . . . .
C14 C 0.4511(3) 0.3146(5) 0.43453(15) 0.0217(7) Uani 1 1 d . . . . .
C9 C 0.4231(3) 0.3916(5) 0.37957(16) 0.0219(7) Uani 1 1 d . . . . .
C15 C 0.6065(3) 0.1220(5) 0.42504(16) 0.0255(8) Uani 1 1 d . . . . .
H15A H 0.586922 0.003885 0.436576 0.038 Uiso 1 1 calc R U . . .
H15B H 0.687991 0.133757 0.432994 0.038 Uiso 1 1 calc R U . . .
H15C H 0.575105 0.138420 0.383954 0.038 Uiso 1 1 calc R U . . .
C13 C 0.3681(3) 0.3087(5) 0.46567(16) 0.0262(8) Uani 1 1 d . . . . .
H13 H 0.384683 0.257377 0.502834 0.031 Uiso 1 1 calc R U . . .
C1 C 0.6685(3) 0.5093(5) 0.29431(15) 0.0212(7) Uani 1 1 d . . . . .
C8 C 0.8454(3) 0.6498(5) 0.29956(15) 0.0232(8) Uani 1 1 d . . . . .
H8 H 0.904852 0.691481 0.283808 0.028 Uiso 1 1 calc R U . . .
C5 C 0.5597(3) 0.3829(5) 0.20565(16) 0.0269(8) Uani 1 1 d . . . . .
H5 H 0.494639 0.323634 0.185102 0.032 Uiso 1 1 calc R U . . .
C6 C 0.5710(3) 0.4226(5) 0.26348(15) 0.0232(8) Uani 1 1 d . . . . .
C4 C 0.6435(4) 0.4296(5) 0.17780(16) 0.0303(9) Uani 1 1 d . . . . .
H4 H 0.635353 0.401124 0.138475 0.036 Uiso 1 1 calc R U . . .
C2 C 0.7520(3) 0.5581(5) 0.26564(15) 0.0219(7) Uani 1 1 d . . . . .
C16 C 0.5944(3) 0.2251(5) 0.51848(15) 0.0283(8) Uani 1 1 d . . . . .
H16A H 0.565410 0.320836 0.538613 0.042 Uiso 1 1 calc R U . . .
H16B H 0.676093 0.222430 0.530555 0.042 Uiso 1 1 calc R U . . .
H16C H 0.563947 0.111626 0.527668 0.042 Uiso 1 1 calc R U . . .
C17 C 0.9323(3) 0.7728(5) 0.38944(16) 0.0237(8) Uani 1 1 d . . . . .
C7 C 0.4875(3) 0.3794(5) 0.29442(16) 0.0240(8) Uani 1 1 d . . . . .
H7 H 0.419073 0.325011 0.275783 0.029 Uiso 1 1 calc R U . . .
C3 C 0.7383(3) 0.5172(5) 0.20716(16) 0.0276(8) Uani 1 1 d . . . . .
H3 H 0.794499 0.549960 0.187750 0.033 Uiso 1 1 calc R U . . .
C20 C 1.1071(3) 0.9496(6) 0.4626(2) 0.0370(10) Uani 1 1 d . . . . .
H20 H 1.167516 1.009692 0.487143 0.044 Uiso 1 1 calc R U . . .
C24 C 0.7793(3) 1.0566(6) 0.32173(18) 0.0311(9) Uani 1 1 d . . . . .
H24A H 0.746348 0.946574 0.331984 0.047 Uiso 1 1 calc R U . . .
H24B H 0.741526 1.091322 0.282723 0.047 Uiso 1 1 calc R U . . .
H24C H 0.770430 1.150494 0.348555 0.047 Uiso 1 1 calc R U . . .
C10 C 0.3151(3) 0.4540(5) 0.35713(17) 0.0276(8) Uani 1 1 d . . . . .
H10 H 0.296550 0.502299 0.319564 0.033 Uiso 1 1 calc R U . . .
C22 C 0.9589(3) 0.9474(5) 0.37555(16) 0.0247(8) Uani 1 1 d . . . . .
C19 C 1.0784(3) 0.7797(6) 0.47612(18) 0.0344(10) Uani 1 1 d . . . . .
H19 H 1.118088 0.723351 0.510151 0.041 Uiso 1 1 calc R U . . .
C12 C 0.2625(3) 0.3756(5) 0.44365(18) 0.0299(9) Uani 1 1 d . . . . .
H12 H 0.208330 0.373248 0.466254 0.036 Uiso 1 1 calc R U . . .
C21 C 1.0476(3) 1.0311(5) 0.41326(19) 0.0328(9) Uani 1 1 d . . . . .
H21 H 1.067707 1.147879 0.404751 0.039 Uiso 1 1 calc R U . . .
C18 C 0.9916(3) 0.6939(6) 0.43962(17) 0.0288(8) Uani 1 1 d . . . . .
H18 H 0.971670 0.577839 0.448965 0.035 Uiso 1 1 calc R U . . .
C11 C 0.2348(3) 0.4460(6) 0.38911(19) 0.0323(9) Uani 1 1 d . . . . .
H11 H 0.161290 0.488636 0.373686 0.039 Uiso 1 1 calc R U . . .
C23 C 0.9472(4) 1.1912(6) 0.3078(2) 0.0432(11) Uani 1 1 d . . . . .
H23A H 0.907355 1.225305 0.269097 0.065 Uiso 1 1 calc R U . . .
H23B H 1.026214 1.170809 0.308422 0.065 Uiso 1 1 calc R U . . .
H23C H 0.940920 1.286351 0.334713 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 N1 2.266(3) . ?
Sb1 N2 2.486(3) . ?
Sb1 C1 2.058(4) . ?
N3 C14 1.408(5) . ?
N3 C15 1.454(5) . ?
N3 C16 1.454(4) . ?
N1 C8 1.306(5) . ?
N1 C17 1.427(5) . ?
N2 C9 1.429(5) . ?
N2 C7 1.299(5) . ?
N4 C24 1.463(5) . ?
N4 C22 1.417(5) . ?
N4 C23 1.462(5) . ?
C14 C9 1.409(5) . ?
C14 C13 1.397(5) . ?
C9 C10 1.394(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C13 H13 0.9500 . ?
C13 C12 1.380(6) . ?
C1 C6 1.415(5) . ?
C1 C2 1.409(5) . ?
C8 H8 0.9500 . ?
C8 C2 1.425(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.395(5) . ?
C5 C4 1.395(6) . ?
C6 C7 1.436(5) . ?
C4 H4 0.9500 . ?
C4 C3 1.384(6) . ?
C2 C3 1.408(5) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C22 1.415(5) . ?
C17 C18 1.390(5) . ?
C7 H7 0.9500 . ?
C3 H3 0.9500 . ?
C20 H20 0.9500 . ?
C20 C19 1.388(6) . ?
C20 C21 1.385(6) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C10 H10 0.9500 . ?
C10 C11 1.384(6) . ?
C22 C21 1.398(6) . ?
C19 H19 0.9500 . ?
C19 C18 1.377(5) . ?
C12 H12 0.9500 . ?
C12 C11 1.380(6) . ?
C21 H21 0.9500 . ?
C18 H18 0.9500 . ?
C11 H11 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 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
N1 Sb1 N2 146.06(10) . . ?
C1 Sb1 N1 74.26(13) . . ?
C1 Sb1 N2 71.91(13) . . ?
C14 N3 C15 117.9(3) . . ?
C14 N3 C16 117.4(3) . . ?
C16 N3 C15 111.9(3) . . ?
C8 N1 Sb1 115.0(2) . . ?
C8 N1 C17 119.8(3) . . ?
C17 N1 Sb1 125.1(2) . . ?
C9 N2 Sb1 129.1(2) . . ?
C7 N2 Sb1 111.1(2) . . ?
C7 N2 C9 119.4(3) . . ?
C22 N4 C24 115.2(3) . . ?
C22 N4 C23 115.7(3) . . ?
C23 N4 C24 109.7(3) . . ?
N3 C14 C9 119.8(3) . . ?
C13 C14 N3 122.7(3) . . ?
C13 C14 C9 117.5(3) . . ?
C14 C9 N2 119.3(3) . . ?
C10 C9 N2 120.1(3) . . ?
C10 C9 C14 120.5(3) . . ?
N3 C15 H15A 109.5 . . ?
N3 C15 H15B 109.5 . . ?
N3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C13 H13 119.3 . . ?
C12 C13 C14 121.5(4) . . ?
C12 C13 H13 119.3 . . ?
C6 C1 Sb1 121.9(3) . . ?
C2 C1 Sb1 118.7(3) . . ?
C2 C1 C6 119.3(3) . . ?
N1 C8 H8 121.8 . . ?
N1 C8 C2 116.4(3) . . ?
C2 C8 H8 121.8 . . ?
C6 C5 H5 119.8 . . ?
C6 C5 C4 120.4(4) . . ?
C4 C5 H5 119.8 . . ?
C1 C6 C7 117.1(3) . . ?
C5 C6 C1 119.9(4) . . ?
C5 C6 C7 123.0(3) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 C5 120.3(4) . . ?
C3 C4 H4 119.8 . . ?
C1 C2 C8 115.5(3) . . ?
C3 C2 C1 119.7(3) . . ?
C3 C2 C8 124.8(3) . . ?
N3 C16 H16A 109.5 . . ?
N3 C16 H16B 109.5 . . ?
N3 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C17 N1 122.0(3) . . ?
C18 C17 N1 118.1(3) . . ?
C18 C17 C22 120.0(4) . . ?
N2 C7 C6 117.9(3) . . ?
N2 C7 H7 121.1 . . ?
C6 C7 H7 121.1 . . ?
C4 C3 C2 120.4(4) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C21 C20 C19 119.8(4) . . ?
N4 C24 H24A 109.5 . . ?
N4 C24 H24B 109.5 . . ?
N4 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C9 C10 H10 119.7 . . ?
C11 C10 C9 120.6(4) . . ?
C11 C10 H10 119.7 . . ?
C17 C22 N4 120.2(3) . . ?
C21 C22 N4 122.6(4) . . ?
C21 C22 C17 117.2(4) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 C20 119.2(4) . . ?
C18 C19 H19 120.4 . . ?
C13 C12 H12 119.7 . . ?
C11 C12 C13 120.6(4) . . ?
C11 C12 H12 119.7 . . ?
C20 C21 C22 122.2(4) . . ?
C20 C21 H21 118.9 . . ?
C22 C21 H21 118.9 . . ?
C17 C18 H18 119.2 . . ?
C19 C18 C17 121.6(4) . . ?
C19 C18 H18 119.2 . . ?
C10 C11 H11 120.3 . . ?
C12 C11 C10 119.3(4) . . ?
C12 C11 H11 120.3 . . ?
N4 C23 H23A 109.5 . . ?
N4 C23 H23B 109.5 . . ?
N4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 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
Sb1 N1 C8 C2 0.0(4) . . . . ?
Sb1 N1 C17 C22 -121.0(3) . . . . ?
Sb1 N1 C17 C18 58.5(4) . . . . ?
Sb1 N2 C9 C14 -51.2(4) . . . . ?
Sb1 N2 C9 C10 124.4(3) . . . . ?
Sb1 N2 C7 C6 0.9(4) . . . . ?
Sb1 C1 C6 C5 -177.1(3) . . . . ?
Sb1 C1 C6 C7 2.8(5) . . . . ?
Sb1 C1 C2 C8 -3.3(4) . . . . ?
Sb1 C1 C2 C3 177.5(3) . . . . ?
N3 C14 C9 N2 -3.2(5) . . . . ?
N3 C14 C9 C10 -178.7(3) . . . . ?
N3 C14 C13 C12 176.6(4) . . . . ?
N1 C8 C2 C1 2.0(5) . . . . ?
N1 C8 C2 C3 -178.8(4) . . . . ?
N1 C17 C22 N4 -0.1(5) . . . . ?
N1 C17 C22 C21 -178.7(3) . . . . ?
N1 C17 C18 C19 178.8(4) . . . . ?
N2 C9 C10 C11 -173.5(4) . . . . ?
N4 C22 C21 C20 -179.2(4) . . . . ?
C14 C9 C10 C11 2.0(6) . . . . ?
C14 C13 C12 C11 2.0(6) . . . . ?
C9 N2 C7 C6 174.0(3) . . . . ?
C9 C14 C13 C12 0.0(6) . . . . ?
C9 C10 C11 C12 0.0(6) . . . . ?
C15 N3 C14 C9 -58.7(5) . . . . ?
C15 N3 C14 C13 124.7(4) . . . . ?
C13 C14 C9 N2 173.6(3) . . . . ?
C13 C14 C9 C10 -1.9(5) . . . . ?
C13 C12 C11 C10 -2.0(6) . . . . ?
C1 C6 C7 N2 -2.3(5) . . . . ?
C1 C2 C3 C4 0.0(6) . . . . ?
C8 N1 C17 C22 55.0(5) . . . . ?
C8 N1 C17 C18 -125.5(4) . . . . ?
C8 C2 C3 C4 -179.1(4) . . . . ?
C5 C6 C7 N2 177.6(4) . . . . ?
C5 C4 C3 C2 0.8(6) . . . . ?
C6 C1 C2 C8 178.0(3) . . . . ?
C6 C1 C2 C3 -1.1(5) . . . . ?
C6 C5 C4 C3 -0.5(6) . . . . ?
C4 C5 C6 C1 -0.6(6) . . . . ?
C4 C5 C6 C7 179.5(4) . . . . ?
C2 C1 C6 C5 1.5(5) . . . . ?
C2 C1 C6 C7 -178.6(3) . . . . ?
C16 N3 C14 C9 162.8(3) . . . . ?
C16 N3 C14 C13 -13.8(5) . . . . ?
C17 N1 C8 C2 -176.4(3) . . . . ?
C17 C22 C21 C20 -0.7(6) . . . . ?
C7 N2 C9 C14 137.1(4) . . . . ?
C7 N2 C9 C10 -47.4(5) . . . . ?
C20 C19 C18 C17 0.3(7) . . . . ?
C24 N4 C22 C17 63.3(5) . . . . ?
C24 N4 C22 C21 -118.1(4) . . . . ?
C22 C17 C18 C19 -1.6(6) . . . . ?
C19 C20 C21 C22 -0.7(7) . . . . ?
C21 C20 C19 C18 0.9(7) . . . . ?
C18 C17 C22 N4 -179.6(3) . . . . ?
C18 C17 C22 C21 1.8(6) . . . . ?
C23 N4 C22 C17 -167.0(4) . . . . ?
C23 N4 C22 C21 11.6(6) . . . . ?

_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_4
_database_code_depnum_ccdc_archive 'CCDC 2429480'
loop_
_audit_author_name
_audit_author_address
'Jiliang Zhou'
;Sichuan University
China
;
_audit_update_record             
;
2025-03-07 deposited with the CCDC.	2025-05-08 downloaded from the CCDC.
;
_audit_creation_date             2024-12-28
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C51 H50 Co N8 O3 Sb2, C4 Co O4, C2 H3 N'
_chemical_formula_sum            'C57 H53 Co2 N9 O7 Sb2'
_chemical_formula_weight         1337.44
_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'
Co Co 0.3494 0.9721 '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'
O O 0.0106 0.0060 '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                   12.196(2)
_cell_length_b                   15.812(3)
_cell_length_c                   16.798(3)
_cell_angle_alpha                73.724(4)
_cell_angle_beta                 70.084(4)
_cell_angle_gamma                76.072(4)
_cell_volume                     2885.4(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9843
_cell_measurement_temperature    153.00
_cell_measurement_theta_max      26.74
_cell_measurement_theta_min      2.63
_shelx_estimated_absorpt_T_max   0.801
_shelx_estimated_absorpt_T_min   0.768
_exptl_absorpt_coefficient_mu    1.549
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6742
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1072 before and 0.0640 after correction.
The Ratio of minimum to maximum transmission is 0.9045.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1340
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_unetI/netI     0.0268
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            95439
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.395
_diffrn_reflns_theta_min         2.073
_diffrn_ambient_temperature      153.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10362
_reflns_number_total             11820
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.592
_refine_diff_density_min         -0.516
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         11820
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0252
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0192P)²+3.0744P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0622
_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.a Aromatic/amide H refined with riding coordinates:
 C31(H31), C7(H7), C26(H26), C45(H45), C30(H30), C32(H32), C20(H20), C28(H28),
 C42(H42), C3(H3), C27(H27), C44(H44), C4(H4), C5(H5), C17(H17), C43(H43),
 C34(H34), C18(H18), C37(H37), C35(H35), C19(H19), C36(H36), C9(H9), C10(H10),
 C12(H12), C11(H11)
2.b Idealised Me refined as rotating group:
 C47(H47A,H47B,H47C), C48(H48A,H48B,H48C), C22(H22A,H22B,H22C), C23(H23A,H23B,
 H23C), C40(H40A,H40B,H40C), C39(H39A,H39B,H39C), C14(H14A,H14B,H14C), C15(H15A,
 H15B,H15C), C57(H57A,H57B,H57C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Sb2 Sb 0.24279(2) 0.81242(2) 0.78193(2) 0.02317(4) Uani 1 1 d . . . . .
Sb1 Sb 0.66745(2) 0.68576(2) 0.79120(2) 0.02450(5) Uani 1 1 d . . . . .
Co1 Co 0.45347(3) 0.74438(2) 0.79002(2) 0.02285(7) Uani 1 1 d . . . . .
Co2 Co 1.16902(4) 0.32495(3) 0.75130(3) 0.04232(10) Uani 1 1 d . . . . .
O9 O 0.39698(16) 0.72818(13) 0.97634(12) 0.0372(4) Uani 1 1 d . . . . .
O11 O 0.43426(17) 0.59290(12) 0.73175(12) 0.0368(4) Uani 1 1 d . . . . .
O10 O 0.53624(18) 0.89956(14) 0.65867(14) 0.0474(5) Uani 1 1 d . . . . .
N1 N 0.67109(19) 0.52735(14) 0.79888(15) 0.0331(5) Uani 1 1 d . . . . .
N2 N 0.65150(17) 0.79280(13) 0.87746(13) 0.0263(4) Uani 1 1 d . . . . .
N5 N 0.14883(18) 0.80473(14) 0.93814(13) 0.0283(4) Uani 1 1 d . . . . .
N8 N 0.27699(19) 0.92142(14) 0.58270(13) 0.0303(5) Uani 1 1 d . . . . .
N6 N 0.26629(17) 0.74419(13) 0.66362(13) 0.0256(4) Uani 1 1 d . . . . .
N7 N 0.20092(19) 0.97140(14) 0.85587(14) 0.0328(5) Uani 1 1 d . . . . .
N4 N 0.79619(19) 0.87099(15) 0.72140(14) 0.0332(5) Uani 1 1 d . . . . .
C1 C 0.6615(2) 0.61373(16) 0.91950(16) 0.0274(5) Uani 1 1 d . . . . .
O12 O 1.1669(3) 0.20258(17) 0.65053(17) 0.0715(8) Uani 1 1 d . . . . .
C24 C 0.1434(2) 0.70556(15) 0.83308(15) 0.0242(5) Uani 1 1 d . . . . .
C2 C 0.6762(2) 0.52055(17) 0.93914(17) 0.0320(6) Uani 1 1 d . . . . .
C31 C 0.0765(2) 0.74872(17) 0.97142(16) 0.0297(5) Uani 1 1 d . . . . .
H31 H 0.028155 0.743665 1.029868 0.036 Uiso 1 1 calc R U . . .
N3 N 0.7727(2) 0.60446(17) 0.62939(16) 0.0452(6) Uani 1 1 d . . . . .
C29 C 0.1362(2) 0.65746(16) 0.77691(16) 0.0267(5) Uani 1 1 d . . . . .
O15 O 0.9299(2) 0.40020(18) 0.8342(2) 0.0787(8) Uani 1 1 d . . . . .
C25 C 0.0698(2) 0.69311(16) 0.91825(16) 0.0277(5) Uani 1 1 d . . . . .
C21 C 0.7061(2) 0.92656(17) 0.77034(16) 0.0305(5) Uani 1 1 d . . . . .
C7 C 0.6784(2) 0.47837(17) 0.87266(18) 0.0358(6) Uani 1 1 d . . . . .
H7 H 0.685217 0.415339 0.883305 0.043 Uiso 1 1 calc R U . . .
C46 C 0.3512(2) 0.85547(17) 0.53830(15) 0.0290(5) Uani 1 1 d . . . . .
C6 C 0.6626(2) 0.65732(17) 0.98072(16) 0.0305(5) Uani 1 1 d . . . . .
C50 C 0.4163(2) 0.73691(16) 0.90285(16) 0.0276(5) Uani 1 1 d . . . . .
C16 C 0.6353(2) 0.88754(16) 0.85131(16) 0.0289(5) Uani 1 1 d . . . . .
C41 C 0.3433(2) 0.76505(17) 0.57820(15) 0.0285(5) Uani 1 1 d . . . . .
C49 C 0.4441(2) 0.65182(16) 0.75429(16) 0.0278(5) Uani 1 1 d . . . . .
C26 C -0.0075(2) 0.63054(17) 0.94845(17) 0.0331(6) Uani 1 1 d . . . . .
H26 H -0.057114 0.621802 1.006665 0.040 Uiso 1 1 calc R U . . .
C45 C 0.4335(2) 0.8750(2) 0.45724(16) 0.0362(6) Uani 1 1 d . . . . .
H45 H 0.439485 0.935523 0.428818 0.043 Uiso 1 1 calc R U . . .
C30 C 0.6529(2) 0.75373(17) 0.95528(16) 0.0305(5) Uani 1 1 d . . . . .
H30 H 0.647752 0.787444 0.995548 0.037 Uiso 1 1 calc R U . . .
C32 C 0.2063(2) 0.67998(16) 0.68692(16) 0.0282(5) Uani 1 1 d . . . . .
H32 H 0.207902 0.648103 0.646162 0.034 Uiso 1 1 calc R U . . .
C20 C 0.6798(3) 1.01904(18) 0.74150(19) 0.0396(7) Uani 1 1 d . . . . .
H20 H 0.724714 1.047130 0.686052 0.048 Uiso 1 1 calc R U . . .
C28 C 0.0595(2) 0.59461(17) 0.80795(17) 0.0317(6) Uani 1 1 d . . . . .
H28 H 0.055959 0.560766 0.770481 0.038 Uiso 1 1 calc R U . . .
C42 C 0.4164(2) 0.69793(19) 0.53812(17) 0.0363(6) Uani 1 1 d . . . . .
H42 H 0.410611 0.637237 0.565840 0.044 Uiso 1 1 calc R U . . .
C3 C 0.6922(2) 0.47236(19) 1.01891(19) 0.0408(7) Uani 1 1 d . . . . .
H3 H 0.701798 0.409026 1.032206 0.049 Uiso 1 1 calc R U . . .
C47 C 0.1514(2) 0.93213(19) 0.59085(19) 0.0387(6) Uani 1 1 d . . . . .
H47A H 0.136956 0.966763 0.536040 0.058 Uiso 1 1 calc R U . . .
H47B H 0.104810 0.963567 0.637388 0.058 Uiso 1 1 calc R U . . .
H47C H 0.128407 0.873251 0.604585 0.058 Uiso 1 1 calc R U . . .
C27 C -0.0113(2) 0.58175(17) 0.89325(18) 0.0360(6) Uani 1 1 d . . . . .
H27 H -0.063021 0.538874 0.913980 0.043 Uiso 1 1 calc R U . . .
C48 C 0.3167(3) 1.00747(18) 0.55897(18) 0.0373(6) Uani 1 1 d . . . . .
H48A H 0.399678 0.997985 0.557725 0.056 Uiso 1 1 calc R U . . .
H48B H 0.268313 1.043119 0.601742 0.056 Uiso 1 1 calc R U . . .
H48C H 0.308937 1.039123 0.501497 0.056 Uiso 1 1 calc R U . . .
C44 C 0.5069(3) 0.8074(2) 0.41739(18) 0.0429(7) Uani 1 1 d . . . . .
H44 H 0.563176 0.821961 0.362397 0.051 Uiso 1 1 calc R U . . .
C4 C 0.6940(3) 0.5163(2) 1.07821(19) 0.0435(7) Uani 1 1 d . . . . .
H4 H 0.706172 0.483005 1.131993 0.052 Uiso 1 1 calc R U . . .
C5 C 0.6783(2) 0.60831(19) 1.06047(17) 0.0371(6) Uani 1 1 d . . . . .
H5 H 0.678135 0.638215 1.102311 0.044 Uiso 1 1 calc R U . . .
C33 C 0.1663(2) 0.85722(18) 0.98756(16) 0.0301(5) Uani 1 1 d . . . . .
C51 C 0.5034(2) 0.83930(17) 0.71038(17) 0.0313(5) Uani 1 1 d . . . . .
C38 C 0.1981(2) 0.94122(18) 0.94413(17) 0.0314(5) Uani 1 1 d . . . . .
C8 C 0.6670(2) 0.48928(18) 0.7325(2) 0.0387(6) Uani 1 1 d . . . . .
C17 C 0.5457(2) 0.93924(19) 0.90172(19) 0.0375(6) Uani 1 1 d . . . . .
H17 H 0.498719 0.911817 0.956618 0.045 Uiso 1 1 calc R U . . .
C43 C 0.4986(3) 0.7190(2) 0.45720(18) 0.0434(7) Uani 1 1 d . . . . .
H43 H 0.548569 0.672857 0.429555 0.052 Uiso 1 1 calc R U . . .
C34 C 0.1646(2) 0.8234(2) 1.07373(17) 0.0376(6) Uani 1 1 d . . . . .
H34 H 0.143218 0.766273 1.102790 0.045 Uiso 1 1 calc R U . . .
C18 C 0.5242(3) 1.0310(2) 0.8725(2) 0.0452(7) Uani 1 1 d . . . . .
H18 H 0.464084 1.066689 0.907968 0.054 Uiso 1 1 calc R U . . .
C55 C 1.0249(3) 0.3706(2) 0.8003(2) 0.0506(8) Uani 1 1 d . . . . .
C37 C 0.2253(2) 0.9910(2) 0.98970(19) 0.0401(6) Uani 1 1 d . . . . .
H37 H 0.245079 1.048746 0.961645 0.048 Uiso 1 1 calc R U . . .
C35 C 0.1940(3) 0.8732(2) 1.11711(19) 0.0446(7) Uani 1 1 d . . . . .
H35 H 0.193699 0.849868 1.175793 0.054 Uiso 1 1 calc R U . . .
O14 O 1.2919(3) 0.4736(2) 0.6423(2) 0.0929(11) Uani 1 1 d . . . . .
C19 C 0.5898(3) 1.07014(19) 0.7922(2) 0.0472(8) Uani 1 1 d . . . . .
H19 H 0.573320 1.132797 0.771285 0.057 Uiso 1 1 calc R U . . .
C22 C 0.8935(2) 0.8271(2) 0.7582(2) 0.0432(7) Uani 1 1 d . . . . .
H22A H 0.939557 0.871628 0.754731 0.065 Uiso 1 1 calc R U . . .
H22B H 0.944531 0.782440 0.725472 0.065 Uiso 1 1 calc R U . . .
H22C H 0.861688 0.797735 0.818992 0.065 Uiso 1 1 calc R U . . .
C13 C 0.7126(3) 0.5321(2) 0.6465(2) 0.0449(7) Uani 1 1 d . . . . .
C23 C 0.8403(3) 0.9089(2) 0.62926(19) 0.0504(8) Uani 1 1 d . . . . .
H23A H 0.773644 0.935228 0.605454 0.076 Uiso 1 1 calc R U . . .
H23B H 0.890519 0.861796 0.599444 0.076 Uiso 1 1 calc R U . . .
H23C H 0.886664 0.955162 0.620749 0.076 Uiso 1 1 calc R U . . .
C40 C 0.2910(3) 1.0260(2) 0.8007(2) 0.0499(8) Uani 1 1 d . . . . .
H40A H 0.267264 1.086118 0.812517 0.075 Uiso 1 1 calc R U . . .
H40B H 0.299901 1.029716 0.739649 0.075 Uiso 1 1 calc R U . . .
H40C H 0.366450 0.998940 0.812834 0.075 Uiso 1 1 calc R U . . .
C36 C 0.2237(3) 0.9567(2) 1.07531(19) 0.0459(7) Uani 1 1 d . . . . .
H36 H 0.243096 0.990860 1.105543 0.055 Uiso 1 1 calc R U . . .
C9 C 0.6068(3) 0.4177(2) 0.7528(2) 0.0502(8) Uani 1 1 d . . . . .
H9 H 0.577437 0.387849 0.811474 0.060 Uiso 1 1 calc R U . . .
C39 C 0.0854(3) 1.0101(2) 0.8436(2) 0.0507(8) Uani 1 1 d . . . . .
H39A H 0.029008 0.969321 0.878738 0.076 Uiso 1 1 calc R U . . .
H39B H 0.090832 1.019658 0.782279 0.076 Uiso 1 1 calc R U . . .
H39C H 0.058595 1.067284 0.861623 0.076 Uiso 1 1 calc R U . . .
C14 C 0.8910(3) 0.5775(2) 0.6397(2) 0.0537(8) Uani 1 1 d . . . . .
H14A H 0.888386 0.533423 0.694252 0.081 Uiso 1 1 calc R U . . .
H14B H 0.919925 0.629836 0.640530 0.081 Uiso 1 1 calc R U . . .
H14C H 0.944193 0.551126 0.591083 0.081 Uiso 1 1 calc R U . . .
O13 O 1.2822(5) 0.2168(2) 0.8802(3) 0.164(2) Uani 1 1 d . . . . .
C54 C 1.1683(3) 0.2523(2) 0.6892(2) 0.0506(8) Uani 1 1 d . . . . .
C15 C 0.7721(4) 0.6708(3) 0.5490(2) 0.0768(12) Uani 1 1 d . . . . .
H15A H 0.824097 0.645422 0.499441 0.115 Uiso 1 1 calc R U . . .
H15B H 0.800382 0.723625 0.549398 0.115 Uiso 1 1 calc R U . . .
H15C H 0.691511 0.687823 0.544139 0.115 Uiso 1 1 calc R U . . .
C10 C 0.5903(4) 0.3904(3) 0.6866(3) 0.0672(11) Uani 1 1 d . . . . .
H10 H 0.549666 0.341666 0.699848 0.081 Uiso 1 1 calc R U . . .
C12 C 0.6941(4) 0.5032(3) 0.5814(3) 0.0628(10) Uani 1 1 d . . . . .
H12 H 0.724399 0.531677 0.522420 0.075 Uiso 1 1 calc R U . . .
C52 C 1.2444(3) 0.4138(2) 0.6856(3) 0.0605(9) Uani 1 1 d . . . . .
C11 C 0.6326(4) 0.4339(3) 0.6020(3) 0.0725(11) Uani 1 1 d . . . . .
H11 H 0.619248 0.415937 0.557142 0.087 Uiso 1 1 calc R U . . .
N9 N 0.0874(4) 0.7474(4) 0.5201(4) 0.1139(15) Uani 1 1 d . . . . .
C53 C 1.2373(5) 0.2612(2) 0.8285(3) 0.0868(16) Uani 1 1 d . . . . .
C56 C 0.0977(4) 0.7409(5) 0.4532(4) 0.108(2) Uani 1 1 d . . . . .
C57 C 0.1054(6) 0.7240(7) 0.3709(4) 0.190(5) Uani 1 1 d . . . . .
H57A H 0.116942 0.778682 0.325719 0.285 Uiso 1 1 calc R U . . .
H57B H 0.032103 0.705283 0.375425 0.285 Uiso 1 1 calc R U . . .
H57C H 0.172226 0.676724 0.355779 0.285 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
Sb2 Co1 2.5697(5) . ?
Sb2 N5 2.460(2) . ?
Sb2 N6 2.421(2) . ?
Sb2 C24 2.127(2) . ?
Sb1 Co1 2.5554(6) . ?
Sb1 N1 2.462(2) . ?
Sb1 N2 2.455(2) . ?
Sb1 C1 2.122(2) . ?
Co1 C50 1.768(3) . ?
Co1 C49 1.771(3) . ?
Co1 C51 1.781(3) . ?
Co2 C55 1.739(4) . ?
Co2 C54 1.758(3) . ?
Co2 C52 1.761(4) . ?
Co2 C53 1.729(4) . ?
O9 C50 1.149(3) . ?
O11 C49 1.144(3) . ?
O10 C51 1.143(3) . ?
N1 C7 1.284(3) . ?
N1 C8 1.427(3) . ?
N2 C16 1.423(3) . ?
N2 C30 1.284(3) . ?
N5 C31 1.279(3) . ?
N5 C33 1.419(3) . ?
N8 C46 1.409(3) . ?
N8 C47 1.462(3) . ?
N8 C48 1.458(3) . ?
N6 C41 1.420(3) . ?
N6 C32 1.288(3) . ?
N7 C38 1.415(3) . ?
N7 C40 1.458(4) . ?
N7 C39 1.453(4) . ?
N4 C21 1.407(3) . ?
N4 C22 1.461(3) . ?
N4 C23 1.453(3) . ?
C1 C2 1.397(3) . ?
C1 C6 1.395(4) . ?
O12 C54 1.158(4) . ?
C24 C29 1.403(3) . ?
C24 C25 1.394(3) . ?
C2 C7 1.442(4) . ?
C2 C3 1.396(4) . ?
C31 H31 0.9500 . ?
C31 C25 1.450(4) . ?
N3 C13 1.416(4) . ?
N3 C14 1.458(4) . ?
N3 C15 1.461(4) . ?
C29 C32 1.452(3) . ?
C29 C28 1.400(3) . ?
O15 C55 1.151(4) . ?
C25 C26 1.403(3) . ?
C21 C16 1.400(4) . ?
C21 C20 1.400(4) . ?
C7 H7 0.9500 . ?
C46 C41 1.410(3) . ?
C46 C45 1.393(3) . ?
C6 C30 1.450(4) . ?
C6 C5 1.397(3) . ?
C16 C17 1.381(4) . ?
C41 C42 1.382(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.380(4) . ?
C45 H45 0.9500 . ?
C45 C44 1.387(4) . ?
C30 H30 0.9500 . ?
C32 H32 0.9500 . ?
C20 H20 0.9500 . ?
C20 C19 1.380(4) . ?
C28 H28 0.9500 . ?
C28 C27 1.385(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.394(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.373(4) . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C27 H27 0.9500 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C44 H44 0.9500 . ?
C44 C43 1.382(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.380(4) . ?
C5 H5 0.9500 . ?
C33 C38 1.400(4) . ?
C33 C34 1.390(4) . ?
C38 C37 1.397(4) . ?
C8 C13 1.393(4) . ?
C8 C9 1.396(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.386(4) . ?
C43 H43 0.9500 . ?
C34 H34 0.9500 . ?
C34 C35 1.384(4) . ?
C18 H18 0.9500 . ?
C18 C19 1.370(5) . ?
C37 H37 0.9500 . ?
C37 C36 1.382(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.380(5) . ?
O14 C52 1.162(4) . ?
C19 H19 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C13 C12 1.396(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C36 H36 0.9500 . ?
C9 H9 0.9500 . ?
C9 C10 1.388(5) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
O13 C53 1.159(5) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C10 H10 0.9500 . ?
C10 C11 1.371(6) . ?
C12 H12 0.9500 . ?
C12 C11 1.374(5) . ?
C11 H11 0.9500 . ?
N9 C56 1.119(7) . ?
C56 C57 1.449(9) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 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
N5 Sb2 Co1 97.16(5) . . ?
N6 Sb2 Co1 92.60(5) . . ?
N6 Sb2 N5 143.97(7) . . ?
C24 Sb2 Co1 106.35(6) . . ?
C24 Sb2 N5 71.51(8) . . ?
C24 Sb2 N6 72.46(8) . . ?
N1 Sb1 Co1 98.45(5) . . ?
N2 Sb1 Co1 89.80(5) . . ?
N2 Sb1 N1 143.66(7) . . ?
C1 Sb1 Co1 106.70(6) . . ?
C1 Sb1 N1 71.77(9) . . ?
C1 Sb1 N2 71.96(8) . . ?
Sb1 Co1 Sb2 176.322(14) . . ?
C50 Co1 Sb2 94.12(8) . . ?
C50 Co1 Sb1 87.72(8) . . ?
C50 Co1 C49 118.39(11) . . ?
C50 Co1 C51 123.29(12) . . ?
C49 Co1 Sb2 88.97(8) . . ?
C49 Co1 Sb1 92.96(8) . . ?
C49 Co1 C51 118.30(12) . . ?
C51 Co1 Sb2 88.20(8) . . ?
C51 Co1 Sb1 88.13(8) . . ?
C55 Co2 C54 109.92(17) . . ?
C55 Co2 C52 107.61(15) . . ?
C54 Co2 C52 110.96(16) . . ?
C53 Co2 C55 110.7(2) . . ?
C53 Co2 C54 106.29(15) . . ?
C53 Co2 C52 111.4(2) . . ?
C7 N1 Sb1 111.66(18) . . ?
C7 N1 C8 121.1(2) . . ?
C8 N1 Sb1 127.26(17) . . ?
C16 N2 Sb1 127.35(15) . . ?
C30 N2 Sb1 111.84(16) . . ?
C30 N2 C16 120.7(2) . . ?
C31 N5 Sb2 111.99(16) . . ?
C31 N5 C33 122.1(2) . . ?
C33 N5 Sb2 125.88(16) . . ?
C46 N8 C47 115.5(2) . . ?
C46 N8 C48 116.7(2) . . ?
C48 N8 C47 111.6(2) . . ?
C41 N6 Sb2 125.95(14) . . ?
C32 N6 Sb2 112.80(16) . . ?
C32 N6 C41 121.1(2) . . ?
C38 N7 C40 116.1(2) . . ?
C38 N7 C39 113.5(2) . . ?
C39 N7 C40 112.2(2) . . ?
C21 N4 C22 115.3(2) . . ?
C21 N4 C23 116.0(2) . . ?
C23 N4 C22 110.9(2) . . ?
C2 C1 Sb1 119.96(19) . . ?
C6 C1 Sb1 120.16(18) . . ?
C6 C1 C2 119.0(2) . . ?
C29 C24 Sb2 119.44(17) . . ?
C25 C24 Sb2 120.23(17) . . ?
C25 C24 C29 119.4(2) . . ?
C1 C2 C7 117.0(2) . . ?
C3 C2 C1 120.1(3) . . ?
C3 C2 C7 122.9(2) . . ?
N5 C31 H31 120.6 . . ?
N5 C31 C25 118.7(2) . . ?
C25 C31 H31 120.6 . . ?
C13 N3 C14 113.8(3) . . ?
C13 N3 C15 116.2(3) . . ?
C14 N3 C15 111.4(3) . . ?
C24 C29 C32 116.7(2) . . ?
C28 C29 C24 119.8(2) . . ?
C28 C29 C32 123.5(2) . . ?
C24 C25 C31 116.7(2) . . ?
C24 C25 C26 120.3(2) . . ?
C26 C25 C31 123.0(2) . . ?
C16 C21 N4 118.7(2) . . ?
C20 C21 N4 123.7(2) . . ?
C20 C21 C16 117.5(3) . . ?
N1 C7 C2 118.9(2) . . ?
N1 C7 H7 120.5 . . ?
C2 C7 H7 120.5 . . ?
N8 C46 C41 118.6(2) . . ?
C45 C46 N8 123.2(2) . . ?
C45 C46 C41 118.1(2) . . ?
C1 C6 C30 116.7(2) . . ?
C1 C6 C5 120.3(2) . . ?
C5 C6 C30 122.9(2) . . ?
O9 C50 Co1 176.3(2) . . ?
C21 C16 N2 118.4(2) . . ?
C17 C16 N2 120.5(2) . . ?
C17 C16 C21 120.9(2) . . ?
C46 C41 N6 118.5(2) . . ?
C42 C41 N6 120.5(2) . . ?
C42 C41 C46 120.7(2) . . ?
O11 C49 Co1 177.8(2) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 C25 119.7(2) . . ?
C27 C26 H26 120.1 . . ?
C46 C45 H45 119.5 . . ?
C44 C45 C46 121.0(3) . . ?
C44 C45 H45 119.5 . . ?
N2 C30 C6 118.9(2) . . ?
N2 C30 H30 120.5 . . ?
C6 C30 H30 120.5 . . ?
N6 C32 C29 118.4(2) . . ?
N6 C32 H32 120.8 . . ?
C29 C32 H32 120.8 . . ?
C21 C20 H20 119.4 . . ?
C19 C20 C21 121.2(3) . . ?
C19 C20 H20 119.4 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 C29 120.0(2) . . ?
C27 C28 H28 120.0 . . ?
C41 C42 H42 119.9 . . ?
C41 C42 C43 120.2(3) . . ?
C43 C42 H42 119.9 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.2(3) . . ?
C4 C3 H3 119.9 . . ?
N8 C47 H47A 109.5 . . ?
N8 C47 H47B 109.5 . . ?
N8 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C26 C27 C28 120.7(2) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
N8 C48 H48A 109.5 . . ?
N8 C48 H48B 109.5 . . ?
N8 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C45 C44 H44 119.8 . . ?
C43 C44 C45 120.4(3) . . ?
C43 C44 H44 119.8 . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.7(3) . . ?
C5 C4 H4 119.7 . . ?
C6 C5 H5 120.1 . . ?
C4 C5 C6 119.7(3) . . ?
C4 C5 H5 120.1 . . ?
C38 C33 N5 117.6(2) . . ?
C34 C33 N5 121.6(2) . . ?
C34 C33 C38 120.4(2) . . ?
O10 C51 Co1 179.2(3) . . ?
C33 C38 N7 118.0(2) . . ?
C37 C38 N7 123.3(2) . . ?
C37 C38 C33 118.7(2) . . ?
C13 C8 N1 118.0(2) . . ?
C13 C8 C9 120.6(3) . . ?
C9 C8 N1 121.0(3) . . ?
C16 C17 H17 119.9 . . ?
C16 C17 C18 120.2(3) . . ?
C18 C17 H17 119.9 . . ?
C42 C43 H43 120.2 . . ?
C44 C43 C42 119.6(3) . . ?
C44 C43 H43 120.2 . . ?
C33 C34 H34 120.1 . . ?
C35 C34 C33 119.9(3) . . ?
C35 C34 H34 120.1 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.8(3) . . ?
C19 C18 H18 120.1 . . ?
O15 C55 Co2 178.8(3) . . ?
C38 C37 H37 119.8 . . ?
C36 C37 C38 120.5(3) . . ?
C36 C37 H37 119.8 . . ?
C34 C35 H35 119.9 . . ?
C36 C35 C34 120.2(3) . . ?
C36 C35 H35 119.9 . . ?
C20 C19 H19 119.8 . . ?
C18 C19 C20 120.4(3) . . ?
C18 C19 H19 119.8 . . ?
N4 C22 H22A 109.5 . . ?
N4 C22 H22B 109.5 . . ?
N4 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C8 C13 N3 118.4(3) . . ?
C8 C13 C12 118.5(3) . . ?
C12 C13 N3 123.1(3) . . ?
N4 C23 H23A 109.5 . . ?
N4 C23 H23B 109.5 . . ?
N4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N7 C40 H40A 109.5 . . ?
N7 C40 H40B 109.5 . . ?
N7 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C37 C36 H36 119.8 . . ?
C35 C36 C37 120.4(3) . . ?
C35 C36 H36 119.8 . . ?
C8 C9 H9 120.3 . . ?
C10 C9 C8 119.5(3) . . ?
C10 C9 H9 120.3 . . ?
N7 C39 H39A 109.5 . . ?
N7 C39 H39B 109.5 . . ?
N7 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N3 C14 H14A 109.5 . . ?
N3 C14 H14B 109.5 . . ?
N3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O12 C54 Co2 178.0(3) . . ?
N3 C15 H15A 109.5 . . ?
N3 C15 H15B 109.5 . . ?
N3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.0(3) . . ?
C11 C10 H10 120.0 . . ?
C13 C12 H12 119.7 . . ?
C11 C12 C13 120.6(4) . . ?
C11 C12 H12 119.7 . . ?
O14 C52 Co2 178.6(4) . . ?
C10 C11 C12 120.8(3) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
O13 C53 Co2 178.5(4) . . ?
N9 C56 C57 174.0(9) . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 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
Sb2 N5 C31 C25 6.6(3) . . . . ?
Sb2 N5 C33 C38 27.1(3) . . . . ?
Sb2 N5 C33 C34 -146.1(2) . . . . ?
Sb2 N6 C41 C46 -42.5(3) . . . . ?
Sb2 N6 C41 C42 132.0(2) . . . . ?
Sb2 N6 C32 C29 -0.3(3) . . . . ?
Sb2 C24 C29 C32 4.8(3) . . . . ?
Sb2 C24 C29 C28 -172.09(18) . . . . ?
Sb2 C24 C25 C31 -7.3(3) . . . . ?
Sb2 C24 C25 C26 171.42(18) . . . . ?
Sb1 N1 C7 C2 3.7(3) . . . . ?
Sb1 N1 C8 C13 28.5(3) . . . . ?
Sb1 N1 C8 C9 -144.0(2) . . . . ?
Sb1 N2 C16 C21 -46.8(3) . . . . ?
Sb1 N2 C16 C17 128.1(2) . . . . ?
Sb1 N2 C30 C6 -0.3(3) . . . . ?
Sb1 C1 C2 C7 -8.4(3) . . . . ?
Sb1 C1 C2 C3 169.23(19) . . . . ?
Sb1 C1 C6 C30 7.6(3) . . . . ?
Sb1 C1 C6 C5 -169.45(19) . . . . ?
N1 C8 C13 N3 7.3(4) . . . . ?
N1 C8 C13 C12 -171.0(3) . . . . ?
N1 C8 C9 C10 170.9(3) . . . . ?
N2 C16 C17 C18 -174.6(2) . . . . ?
N5 C31 C25 C24 -0.5(3) . . . . ?
N5 C31 C25 C26 -179.2(2) . . . . ?
N5 C33 C38 N7 5.3(3) . . . . ?
N5 C33 C38 C37 -174.7(2) . . . . ?
N5 C33 C34 C35 173.3(2) . . . . ?
N8 C46 C41 N6 -3.9(3) . . . . ?
N8 C46 C41 C42 -178.3(2) . . . . ?
N8 C46 C45 C44 178.1(2) . . . . ?
N6 C41 C42 C43 -174.8(2) . . . . ?
N7 C38 C37 C36 -178.4(3) . . . . ?
N4 C21 C16 N2 -5.0(3) . . . . ?
N4 C21 C16 C17 -179.9(2) . . . . ?
N4 C21 C20 C19 179.6(2) . . . . ?
C1 C2 C7 N1 2.3(4) . . . . ?
C1 C2 C3 C4 -0.2(4) . . . . ?
C1 C6 C30 N2 -4.4(3) . . . . ?
C1 C6 C5 C4 0.7(4) . . . . ?
C24 C29 C32 N6 -2.7(3) . . . . ?
C24 C29 C28 C27 1.7(4) . . . . ?
C24 C25 C26 C27 -0.5(4) . . . . ?
C2 C1 C6 C30 177.0(2) . . . . ?
C2 C1 C6 C5 0.0(4) . . . . ?
C2 C3 C4 C5 1.0(4) . . . . ?
C31 N5 C33 C38 -150.3(2) . . . . ?
C31 N5 C33 C34 36.5(4) . . . . ?
C31 C25 C26 C27 178.2(2) . . . . ?
N3 C13 C12 C11 -178.4(4) . . . . ?
C29 C24 C25 C31 -176.4(2) . . . . ?
C29 C24 C25 C26 2.4(4) . . . . ?
C29 C28 C27 C26 0.2(4) . . . . ?
C25 C24 C29 C32 173.9(2) . . . . ?
C25 C24 C29 C28 -3.0(3) . . . . ?
C25 C26 C27 C28 -0.8(4) . . . . ?
C21 C16 C17 C18 0.3(4) . . . . ?
C21 C20 C19 C18 0.2(4) . . . . ?
C7 N1 C8 C13 -150.9(3) . . . . ?
C7 N1 C8 C9 36.6(4) . . . . ?
C7 C2 C3 C4 177.3(3) . . . . ?
C46 C41 C42 C43 -0.4(4) . . . . ?
C46 C45 C44 C43 0.8(4) . . . . ?
C6 C1 C2 C7 -177.9(2) . . . . ?
C6 C1 C2 C3 -0.2(4) . . . . ?
C16 N2 C30 C6 176.4(2) . . . . ?
C16 C21 C20 C19 1.9(4) . . . . ?
C16 C17 C18 C19 1.9(4) . . . . ?
C41 N6 C32 C29 175.3(2) . . . . ?
C41 C46 C45 C44 -0.9(4) . . . . ?
C41 C42 C43 C44 0.3(4) . . . . ?
C45 C46 C41 N6 175.2(2) . . . . ?
C45 C46 C41 C42 0.7(4) . . . . ?
C45 C44 C43 C42 -0.4(4) . . . . ?
C30 N2 C16 C21 137.0(2) . . . . ?
C30 N2 C16 C17 -48.0(3) . . . . ?
C30 C6 C5 C4 -176.1(2) . . . . ?
C32 N6 C41 C46 142.5(2) . . . . ?
C32 N6 C41 C42 -43.0(3) . . . . ?
C32 C29 C28 C27 -175.0(2) . . . . ?
C20 C21 C16 N2 172.8(2) . . . . ?
C20 C21 C16 C17 -2.1(4) . . . . ?
C28 C29 C32 N6 174.1(2) . . . . ?
C3 C2 C7 N1 -175.2(3) . . . . ?
C3 C4 C5 C6 -1.2(4) . . . . ?
C47 N8 C46 C41 -69.7(3) . . . . ?
C47 N8 C46 C45 111.3(3) . . . . ?
C48 N8 C46 C41 156.2(2) . . . . ?
C48 N8 C46 C45 -22.8(3) . . . . ?
C5 C6 C30 N2 172.6(2) . . . . ?
C33 N5 C31 C25 -175.7(2) . . . . ?
C33 C38 C37 C36 1.6(4) . . . . ?
C33 C34 C35 C36 0.7(4) . . . . ?
C38 C33 C34 C35 0.3(4) . . . . ?
C38 C37 C36 C35 -0.6(4) . . . . ?
C8 N1 C7 C2 -176.9(2) . . . . ?
C8 C13 C12 C11 -0.1(5) . . . . ?
C8 C9 C10 C11 -0.2(5) . . . . ?
C17 C18 C19 C20 -2.1(4) . . . . ?
C34 C33 C38 N7 178.6(2) . . . . ?
C34 C33 C38 C37 -1.4(4) . . . . ?
C34 C35 C36 C37 -0.6(5) . . . . ?
C22 N4 C21 C16 -67.2(3) . . . . ?
C22 N4 C21 C20 115.2(3) . . . . ?
C13 C8 C9 C10 -1.4(5) . . . . ?
C13 C12 C11 C10 -1.4(6) . . . . ?
C23 N4 C21 C16 160.8(2) . . . . ?
C23 N4 C21 C20 -16.9(4) . . . . ?
C40 N7 C38 C33 -146.1(3) . . . . ?
C40 N7 C38 C37 34.0(4) . . . . ?
C9 C8 C13 N3 179.9(3) . . . . ?
C9 C8 C13 C12 1.5(5) . . . . ?
C9 C10 C11 C12 1.6(6) . . . . ?
C39 N7 C38 C33 81.7(3) . . . . ?
C39 N7 C38 C37 -98.2(3) . . . . ?
C14 N3 C13 C8 75.1(4) . . . . ?
C14 N3 C13 C12 -106.6(4) . . . . ?
C15 N3 C13 C8 -153.5(3) . . . . ?
C15 N3 C13 C12 24.8(5) . . . . ?

_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_2
_database_code_depnum_ccdc_archive 'CCDC 2429479'
loop_
_audit_author_name
_audit_author_address
'Jiliang Zhou'
;Sichuan University
China
;
_audit_update_record             
;
2025-03-07 deposited with the CCDC.	2025-05-08 downloaded from the CCDC.
;
_audit_creation_date             2024-12-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H25 N4 Sb, 1.5(C7 H8), F6 P'
_chemical_formula_sum            'C34.50 H37 F6 N4 P Sb'
_chemical_formula_weight         774.40
_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'
F F 0.0171 0.0103 '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'
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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   19.8847(5)
_cell_length_b                   14.7666(4)
_cell_length_c                   23.3770(6)
_cell_angle_alpha                90
_cell_angle_beta                 96.4900(10)
_cell_angle_gamma                90
_cell_volume                     6820.2(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9891
_cell_measurement_temperature    153.00
_cell_measurement_theta_max      26.72
_cell_measurement_theta_min      2.54
_shelx_estimated_absorpt_T_max   0.816
_shelx_estimated_absorpt_T_min   0.608
_exptl_absorpt_coefficient_mu    0.919
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6670
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0840 before and 0.0532 after correction.
The Ratio of minimum to maximum transmission is 0.8948.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.55
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_unetI/netI     0.0157
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            103272
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         1.878
_diffrn_ambient_temperature      153.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6666
_reflns_number_total             6990
_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    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.040
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         6990
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.0252
_refine_ls_R_factor_gt           0.0238
_refine_ls_restrained_S_all      1.125
_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)+(0.0216P)²+13.6017P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0598
_refine_ls_wR_factor_ref         0.0606
_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. Restrained distances
 P1-F3 \\sim P1-F6
 with sigma of 0.005
 P2-F14 \\sim P2-F15
 with sigma of 0.005
 P2-F16 \\sim P2-F15
 with sigma of 0.005
 F13-F14 \\sim F13-F11
 with sigma of 0.005
3. Others
 Fixed Sof: F1(0.5) F2(0.5) F3(0.5) F5(0.5) F6(0.5) F4(0.5) P2(0.5) F11(0.5)
 F12(0.5) F13(0.5) F15(0.5) F16(0.5) F14(0.5) C1S(0.5) H1S(0.5) C6S(0.5)
 C5S(0.5) H5S(0.5) C3S(0.5) H3S(0.5) C4S(0.5) H4S(0.5) C2S(0.5) H2S(0.5)
 C7S(0.5) H7SA(0.5) H7SB(0.5) H7SC(0.5)
4.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C16(H16), C3(H3), C22(H22), C5(H5), C9(H9), C19(H19), C10(H10),
 C11(H11), C20(H20), C4(H4), C12(H12), C21(H21), C29(H29), C25(H25), C26(H26),
 C30(H30), C28(H28), C1S(H1S), C5S(H5S), C3S(H3S), C4S(H4S), C2S(H2S)
4.b Fitted hexagon refined as free rotating group:
 C1S(C6S,C5S,C3S,C4S,C2S)
4.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C15(H15A,H15B,
 H15C), C31(H31A,H31B,H31C), C7S(H7SA,H7SB,H7SC)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.54530(2) 0.47033(2) 0.30389(2) 0.02085(5) Uani 1 1 d . . . . .
N1 N 0.44789(8) 0.41590(11) 0.34229(7) 0.0212(3) Uani 1 1 d . . . . .
N2 N 0.60880(8) 0.60420(11) 0.28505(7) 0.0244(3) Uani 1 1 d . . . . .
N3 N 0.53949(8) 0.27894(12) 0.35730(8) 0.0288(4) Uani 1 1 d . . . . .
N4 N 0.71236(9) 0.47887(12) 0.30861(8) 0.0306(4) Uani 1 1 d . . . . .
C6 C 0.53147(10) 0.66646(14) 0.34344(8) 0.0263(4) Uani 1 1 d . . . . .
C2 C 0.44900(10) 0.56522(14) 0.37661(8) 0.0241(4) Uani 1 1 d . . . . .
C7 C 0.42014(10) 0.47442(13) 0.37263(8) 0.0241(4) Uani 1 1 d . . . . .
H7 H 0.382087 0.459134 0.391862 0.029 Uiso 1 1 calc R U . . .
C16 C 0.58834(10) 0.67524(14) 0.30955(9) 0.0277(4) Uani 1 1 d . . . . .
H16 H 0.609707 0.732111 0.305711 0.033 Uiso 1 1 calc R U . . .
C1 C 0.50200(9) 0.58093(13) 0.34404(8) 0.0230(4) Uani 1 1 d . . . . .
C17 C 0.66438(10) 0.60543(14) 0.25157(8) 0.0258(4) Uani 1 1 d . . . . .
C18 C 0.71330(10) 0.53652(14) 0.26078(9) 0.0271(4) Uani 1 1 d . . . . .
C3 C 0.42645(11) 0.63425(15) 0.41054(9) 0.0298(4) Uani 1 1 d . . . . .
H3 H 0.390958 0.623247 0.433654 0.036 Uiso 1 1 calc R U . . .
C8 C 0.42352(9) 0.32582(13) 0.33508(8) 0.0230(4) Uani 1 1 d . . . . .
C22 C 0.66672(11) 0.66858(16) 0.20800(9) 0.0325(5) Uani 1 1 d . . . . .
H22 H 0.635102 0.717035 0.204103 0.039 Uiso 1 1 calc R U . . .
C13 C 0.47099(10) 0.25564(14) 0.34073(8) 0.0249(4) Uani 1 1 d . . . . .
C5 C 0.50809(12) 0.73601(15) 0.37627(9) 0.0326(5) Uani 1 1 d . . . . .
H5 H 0.527429 0.794758 0.375482 0.039 Uiso 1 1 calc R U . . .
C9 C 0.35536(10) 0.30831(15) 0.31940(9) 0.0306(4) Uani 1 1 d . . . . .
H9 H 0.323545 0.356545 0.316289 0.037 Uiso 1 1 calc R U . . .
C19 C 0.76062(11) 0.52909(17) 0.22099(10) 0.0351(5) Uani 1 1 d . . . . .
H19 H 0.793114 0.481683 0.224894 0.042 Uiso 1 1 calc R U . . .
C10 C 0.33401(11) 0.22035(16) 0.30835(10) 0.0373(5) Uani 1 1 d . . . . .
H10 H 0.287447 0.207957 0.297414 0.045 Uiso 1 1 calc R U . . .
C11 C 0.38038(12) 0.15063(16) 0.31321(10) 0.0384(5) Uani 1 1 d . . . . .
H11 H 0.365581 0.090249 0.305446 0.046 Uiso 1 1 calc R U . . .
C20 C 0.76054(12) 0.59018(19) 0.17595(10) 0.0411(6) Uani 1 1 d . . . . .
H20 H 0.792220 0.583069 0.148756 0.049 Uiso 1 1 calc R U . . .
C4 C 0.45644(12) 0.71922(15) 0.41016(10) 0.0347(5) Uani 1 1 d . . . . .
H4 H 0.441446 0.766312 0.433331 0.042 Uiso 1 1 calc R U . . .
C14 C 0.55414(12) 0.30181(17) 0.41830(10) 0.0404(5) Uani 1 1 d . . . . .
H14A H 0.520287 0.344965 0.429054 0.061 Uiso 1 1 calc R U . . .
H14B H 0.599261 0.329062 0.425217 0.061 Uiso 1 1 calc R U . . .
H14C H 0.552673 0.246739 0.441523 0.061 Uiso 1 1 calc R U . . .
C12 C 0.44851(11) 0.16784(15) 0.32935(10) 0.0339(5) Uani 1 1 d . . . . .
H12 H 0.479951 0.119169 0.332614 0.041 Uiso 1 1 calc R U . . .
C23 C 0.72306(12) 0.52286(17) 0.36498(9) 0.0377(5) Uani 1 1 d . . . . .
H23A H 0.770629 0.540808 0.373097 0.057 Uiso 1 1 calc R U . . .
H23B H 0.711519 0.480581 0.394679 0.057 Uiso 1 1 calc R U . . .
H23C H 0.694197 0.576663 0.364932 0.057 Uiso 1 1 calc R U . . .
C21 C 0.71529(12) 0.66097(18) 0.17005(9) 0.0395(6) Uani 1 1 d . . . . .
H21 H 0.717274 0.704285 0.140236 0.047 Uiso 1 1 calc R U . . .
C24 C 0.75327(13) 0.39677(17) 0.30923(12) 0.0451(6) Uani 1 1 d . . . . .
H24A H 0.742908 0.364501 0.272664 0.068 Uiso 1 1 calc R U . . .
H24B H 0.743005 0.357679 0.340996 0.068 Uiso 1 1 calc R U . . .
H24C H 0.801360 0.412980 0.314453 0.068 Uiso 1 1 calc R U . . .
C15 C 0.58966(12) 0.21601(18) 0.33924(13) 0.0469(6) Uani 1 1 d . . . . .
H15A H 0.589370 0.160181 0.361873 0.070 Uiso 1 1 calc R U . . .
H15B H 0.634655 0.243778 0.345413 0.070 Uiso 1 1 calc R U . . .
H15C H 0.578611 0.201839 0.298298 0.070 Uiso 1 1 calc R U . . .
C29 C 0.8397(2) 0.9675(2) 0.50070(12) 0.0656(9) Uani 1 1 d . . . . .
H29 H 0.846957 1.026593 0.516252 0.079 Uiso 1 1 calc R U . . .
C25 C 0.87771(19) 0.8168(3) 0.48853(13) 0.0685(9) Uani 1 1 d . . . . .
H25 H 0.911430 0.771362 0.495857 0.082 Uiso 1 1 calc R U . . .
C27 C 0.76947(17) 0.8582(3) 0.44433(13) 0.0678(9) Uani 1 1 d . . . . .
C26 C 0.8205(2) 0.7967(2) 0.45695(14) 0.0680(9) Uani 1 1 d . . . . .
H26 H 0.814403 0.736916 0.442286 0.082 Uiso 1 1 calc R U . . .
C30 C 0.88942(19) 0.9007(3) 0.51075(13) 0.0766(12) Uani 1 1 d . . . . .
H30 H 0.931179 0.914048 0.533041 0.092 Uiso 1 1 calc R U . . .
C28 C 0.77945(17) 0.9457(3) 0.46746(14) 0.0646(9) Uani 1 1 d . . . . .
H28 H 0.744902 0.990005 0.460367 0.078 Uiso 1 1 calc R U . . .
C31 C 0.7050(2) 0.8340(4) 0.4062(2) 0.1113(18) Uani 1 1 d . . . . .
H31A H 0.713775 0.835053 0.365745 0.167 Uiso 1 1 calc R U . . .
H31B H 0.669639 0.878140 0.412041 0.167 Uiso 1 1 calc R U . . .
H31C H 0.690147 0.773348 0.416089 0.167 Uiso 1 1 calc R U . . .
P1 P 0.250000 0.750000 0.500000 0.03018(17) Uani 1 2 d DS . P . .
F1 F 0.2774(8) 0.8164(11) 0.5436(8) 0.059(3) Uani 0.5 1 d . . P . .
F2 F 0.2297(4) 0.8210(8) 0.4481(5) 0.0480(17) Uani 0.5 1 d . . P . .
F3 F 0.3207(4) 0.7424(12) 0.4753(6) 0.065(3) Uani 0.5 1 d D . P . .
F5 F 0.2113(7) 0.6691(10) 0.4564(8) 0.0451(19) Uani 0.5 1 d . . P . .
F6 F 0.1790(3) 0.7715(11) 0.5215(5) 0.055(3) Uani 0.5 1 d D . P . .
F4 F 0.2648(7) 0.6719(10) 0.5435(6) 0.087(4) Uani 0.5 1 d . . P . .
P2 P 0.51547(9) 0.92178(9) 0.25455(14) 0.0461(6) Uani 0.5 1 d D . P A -1
F11 F 0.5377(3) 1.0220(2) 0.2598(2) 0.102(2) Uani 0.5 1 d D . P A -1
F12 F 0.4642(5) 0.9371(5) 0.3010(4) 0.102(3) Uani 0.5 1 d . . P A -1
F13 F 0.4584(4) 0.9406(4) 0.2026(3) 0.123(3) Uani 0.5 1 d D . P A -1
F15 F 0.5636(4) 0.9057(5) 0.2075(3) 0.092(2) Uani 0.5 1 d D . P A -1
F16 F 0.5725(3) 0.8983(4) 0.3035(3) 0.0852(18) Uani 0.5 1 d D . P A -1
F14 F 0.5039(7) 0.81794(18) 0.2524(7) 0.0707(14) Uani 0.5 1 d D . P A -1
C1S C 0.5098(4) 0.9941(5) 0.4463(2) 0.100(6) Uani 0.5 1 d G . P B -2
H1S H 0.495039 0.981704 0.406960 0.120 Uiso 0.5 1 calc R U P B -2
C6S C 0.4643(3) 0.9888(4) 0.4871(3) 0.0702(19) Uani 0.5 1 d G . P B -2
C5S C 0.4859(3) 1.0070(4) 0.5446(3) 0.068(4) Uani 0.5 1 d G . P B -2
H5S H 0.454804 1.003308 0.572550 0.082 Uiso 0.5 1 calc R U P B -2
C3S C 0.5529(4) 1.0305(4) 0.5612(2) 0.086(3) Uani 0.5 1 d G . P B -2
H3S H 0.567685 1.042867 0.600536 0.104 Uiso 0.5 1 calc R U P B -2
C4S C 0.5984(3) 1.0358(5) 0.5204(3) 0.092(5) Uani 0.5 1 d G . P B -2
H4S H 0.644244 1.051846 0.531734 0.110 Uiso 0.5 1 calc R U P B -2
C2S C 0.5768(4) 1.0176(5) 0.4629(3) 0.105(4) Uani 0.5 1 d G . P B -2
H2S H 0.607922 1.021264 0.434946 0.126 Uiso 0.5 1 calc R U P B -2
C7S C 0.3935(9) 0.9686(13) 0.4626(11) 0.162(9) Uani 0.5 1 d . . P B -2
H7SA H 0.375476 0.919422 0.484610 0.243 Uiso 0.5 1 calc R U P B -2
H7SB H 0.392937 0.950125 0.422316 0.243 Uiso 0.5 1 calc R U P B -2
H7SC H 0.365534 1.022791 0.464882 0.243 Uiso 0.5 1 calc R U P B -2


_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 Sb1 2.9270(3) 2_655 ?
Sb1 N1 2.3657(15) . ?
Sb1 N2 2.4129(16) . ?
Sb1 C1 2.1148(19) . ?
N1 C7 1.282(3) . ?
N1 C8 1.419(2) . ?
N2 C16 1.283(3) . ?
N2 C17 1.425(2) . ?
N3 C13 1.416(3) . ?
N3 C14 1.462(3) . ?
N3 C15 1.460(3) . ?
N4 C18 1.407(3) . ?
N4 C23 1.463(3) . ?
N4 C24 1.459(3) . ?
C6 C16 1.458(3) . ?
C6 C1 1.393(3) . ?
C6 C5 1.393(3) . ?
C2 C7 1.457(3) . ?
C2 C1 1.388(3) . ?
C2 C3 1.396(3) . ?
C7 H7 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.408(3) . ?
C17 C22 1.386(3) . ?
C18 C19 1.400(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.390(3) . ?
C8 C13 1.398(3) . ?
C8 C9 1.388(3) . ?
C22 H22 0.9500 . ?
C22 C21 1.388(3) . ?
C13 C12 1.387(3) . ?
C5 H5 0.9500 . ?
C5 C4 1.388(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.382(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.386(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.378(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.388(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.376(4) . ?
C4 H4 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C12 H12 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C21 H21 0.9500 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C29 H29 0.9500 . ?
C29 C30 1.398(5) . ?
C29 C28 1.390(5) . ?
C25 H25 0.9500 . ?
C25 C26 1.318(5) . ?
C25 C30 1.353(6) . ?
C27 C26 1.369(5) . ?
C27 C28 1.406(5) . ?
C27 C31 1.518(5) . ?
C26 H26 0.9500 . ?
C30 H30 0.9500 . ?
C28 H28 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
P1 F1 1.473(17) . ?
P1 F1 1.472(17) 7_566 ?
P1 F2 1.620(10) . ?
P1 F2 1.620(10) 7_566 ?
P1 F3 1.582(3) . ?
P1 F3 1.583(3) 7_566 ?
P1 F5 1.698(16) 7_566 ?
P1 F5 1.698(16) . ?
P1 F6 1.582(3) . ?
P1 F6 1.582(3) 7_566 ?
P1 F4 1.544(13) . ?
P1 F4 1.544(13) 7_566 ?
F1 F5 0.31(3) 7_566 ?
F2 F4 0.24(3) 7_566 ?
F3 F6 0.22(3) 7_566 ?
P2 F11 1.545(4) . ?
P2 F12 1.587(7) . ?
P2 F13 1.589(7) . ?
P2 F15 1.557(4) . ?
P2 F16 1.556(4) . ?
P2 F14 1.551(4) . ?
C1S H1S 0.9500 . ?
C1S C6S 1.3900 . ?
C1S C2S 1.3900 . ?
C6S C5S 1.3900 . ?
C6S C7S 1.489(17) . ?
C5S H5S 0.9500 . ?
C5S C3S 1.3900 . ?
C3S H3S 0.9500 . ?
C3S C4S 1.3900 . ?
C4S H4S 0.9500 . ?
C4S C2S 1.3900 . ?
C2S H2S 0.9500 . ?
C7S H7SA 0.9800 . ?
C7S H7SB 0.9800 . ?
C7S H7SC 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
N1 Sb1 Sb1 82.87(4) . 2_655 ?
N1 Sb1 N2 144.63(6) . . ?
N2 Sb1 Sb1 97.28(4) . 2_655 ?
C1 Sb1 Sb1 98.06(5) . 2_655 ?
C1 Sb1 N1 72.67(7) . . ?
C1 Sb1 N2 72.30(7) . . ?
C7 N1 Sb1 113.78(13) . . ?
C7 N1 C8 122.34(16) . . ?
C8 N1 Sb1 123.82(12) . . ?
C16 N2 Sb1 112.92(13) . . ?
C16 N2 C17 122.65(17) . . ?
C17 N2 Sb1 124.41(13) . . ?
C13 N3 C14 113.72(17) . . ?
C13 N3 C15 115.71(18) . . ?
C15 N3 C14 111.21(19) . . ?
C18 N4 C23 115.69(17) . . ?
C18 N4 C24 116.94(19) . . ?
C24 N4 C23 109.62(18) . . ?
C1 C6 C16 116.04(18) . . ?
C5 C6 C16 124.16(19) . . ?
C5 C6 C1 119.73(19) . . ?
C1 C2 C7 115.91(17) . . ?
C1 C2 C3 120.14(19) . . ?
C3 C2 C7 123.95(18) . . ?
N1 C7 C2 117.68(17) . . ?
N1 C7 H7 121.2 . . ?
C2 C7 H7 121.2 . . ?
N2 C16 C6 118.32(18) . . ?
N2 C16 H16 120.8 . . ?
C6 C16 H16 120.8 . . ?
C6 C1 Sb1 120.20(14) . . ?
C2 C1 Sb1 119.14(14) . . ?
C2 C1 C6 120.23(18) . . ?
C18 C17 N2 118.19(17) . . ?
C22 C17 N2 120.33(19) . . ?
C22 C17 C18 121.27(19) . . ?
N4 C18 C17 119.20(18) . . ?
C19 C18 N4 123.4(2) . . ?
C19 C18 C17 117.4(2) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.33(19) . . ?
C4 C3 H3 120.3 . . ?
C13 C8 N1 117.75(17) . . ?
C9 C8 N1 121.08(18) . . ?
C9 C8 C13 121.05(19) . . ?
C17 C22 H22 120.0 . . ?
C17 C22 C21 119.9(2) . . ?
C21 C22 H22 120.0 . . ?
C8 C13 N3 117.66(18) . . ?
C12 C13 N3 123.97(19) . . ?
C12 C13 C8 118.37(18) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 C6 119.8(2) . . ?
C4 C5 H5 120.1 . . ?
C8 C9 H9 120.2 . . ?
C10 C9 C8 119.7(2) . . ?
C10 C9 H9 120.2 . . ?
C18 C19 H19 119.7 . . ?
C20 C19 C18 120.7(2) . . ?
C20 C19 H19 119.7 . . ?
C9 C10 H10 120.1 . . ?
C11 C10 C9 119.9(2) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.7 . . ?
C10 C11 C12 120.6(2) . . ?
C12 C11 H11 119.7 . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 121.0(2) . . ?
C21 C20 H20 119.5 . . ?
C3 C4 H4 119.6 . . ?
C5 C4 C3 120.7(2) . . ?
C5 C4 H4 119.6 . . ?
N3 C14 H14A 109.5 . . ?
N3 C14 H14B 109.5 . . ?
N3 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C12 C11 120.4(2) . . ?
C13 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
N4 C23 H23A 109.5 . . ?
N4 C23 H23B 109.5 . . ?
N4 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C21 H21 120.3 . . ?
C20 C21 C22 119.5(2) . . ?
C20 C21 H21 120.3 . . ?
N4 C24 H24A 109.5 . . ?
N4 C24 H24B 109.5 . . ?
N4 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N3 C15 H15A 109.5 . . ?
N3 C15 H15B 109.5 . . ?
N3 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C30 C29 H29 120.7 . . ?
C28 C29 H29 120.7 . . ?
C28 C29 C30 118.6(3) . . ?
C26 C25 H25 119.3 . . ?
C26 C25 C30 121.4(4) . . ?
C30 C25 H25 119.3 . . ?
C26 C27 C28 117.2(3) . . ?
C26 C27 C31 121.8(4) . . ?
C28 C27 C31 121.0(4) . . ?
C25 C26 C27 122.9(4) . . ?
C25 C26 H26 118.5 . . ?
C27 C26 H26 118.5 . . ?
C29 C30 H30 120.2 . . ?
C25 C30 C29 119.6(3) . . ?
C25 C30 H30 120.2 . . ?
C29 C28 C27 120.2(3) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C27 C31 H31A 109.5 . . ?
C27 C31 H31B 109.5 . . ?
C27 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
F1 P1 F1 180.0(15) 7_566 . ?
F1 P1 F2 97.4(9) . . ?
F1 P1 F2 82.6(8) 7_566 . ?
F1 P1 F2 82.6(8) . 7_566 ?
F1 P1 F2 97.4(9) 7_566 7_566 ?
F1 P1 F3 91.4(9) 7_566 7_566 ?
F1 P1 F3 88.6(9) 7_566 . ?
F1 P1 F3 88.6(9) . 7_566 ?
F1 P1 F3 91.4(9) . . ?
F1 P1 F5 7.8(13) . 7_566 ?
F1 P1 F5 172.2(13) 7_566 7_566 ?
F1 P1 F5 7.8(13) 7_566 . ?
F1 P1 F5 172.2(13) . . ?
F1 P1 F6 94.6(9) 7_566 . ?
F1 P1 F6 94.6(9) . 7_566 ?
F1 P1 F6 85.4(9) 7_566 7_566 ?
F1 P1 F6 85.4(9) . . ?
F1 P1 F4 90.8(9) . . ?
F1 P1 F4 89.2(9) . 7_566 ?
F1 P1 F4 89.2(9) 7_566 . ?
F1 P1 F4 90.8(9) 7_566 7_566 ?
F2 P1 F2 180.0 7_566 . ?
F2 P1 F5 93.0(7) . 7_566 ?
F2 P1 F5 87.0(7) 7_566 7_566 ?
F2 P1 F5 87.0(7) . . ?
F2 P1 F5 93.0(7) 7_566 . ?
F3 P1 F2 94.1(6) . 7_566 ?
F3 P1 F2 94.1(6) 7_566 . ?
F3 P1 F2 85.9(6) 7_566 7_566 ?
F3 P1 F2 85.9(6) . . ?
F3 P1 F3 180.0 . 7_566 ?
F3 P1 F5 95.3(8) 7_566 7_566 ?
F3 P1 F5 84.7(9) . 7_566 ?
F3 P1 F5 84.7(9) 7_566 . ?
F3 P1 F5 95.3(8) . . ?
F5 P1 F5 180.0 . 7_566 ?
F6 P1 F2 87.2(5) . . ?
F6 P1 F2 87.3(5) 7_566 7_566 ?
F6 P1 F2 92.8(5) 7_566 . ?
F6 P1 F2 92.8(5) . 7_566 ?
F6 P1 F3 172.0(11) 7_566 7_566 ?
F6 P1 F3 172.0(11) . . ?
F6 P1 F3 8.0(11) . 7_566 ?
F6 P1 F3 8.0(11) 7_566 . ?
F6 P1 F5 88.4(8) 7_566 7_566 ?
F6 P1 F5 91.6(8) . 7_566 ?
F6 P1 F5 91.6(8) 7_566 . ?
F6 P1 F5 88.4(8) . . ?
F6 P1 F6 180.0 . 7_566 ?
F4 P1 F2 8.2(10) 7_566 . ?
F4 P1 F2 171.8(10) 7_566 7_566 ?
F4 P1 F2 171.8(10) . . ?
F4 P1 F2 8.2(10) . 7_566 ?
F4 P1 F3 94.4(7) 7_566 7_566 ?
F4 P1 F3 85.6(7) 7_566 . ?
F4 P1 F3 94.4(7) . . ?
F4 P1 F3 85.6(7) . 7_566 ?
F4 P1 F5 84.8(8) . . ?
F4 P1 F5 84.8(8) 7_566 7_566 ?
F4 P1 F5 95.2(8) 7_566 . ?
F4 P1 F5 95.2(8) . 7_566 ?
F4 P1 F6 87.0(7) . 7_566 ?
F4 P1 F6 93.0(7) . . ?
F4 P1 F6 93.0(7) 7_566 7_566 ?
F4 P1 F6 87.0(7) 7_566 . ?
F4 P1 F4 180.0 . 7_566 ?
F5 F1 P1 132(8) 7_566 . ?
F4 F2 P1 67(6) 7_566 . ?
F6 F3 P1 86.0(14) 7_566 . ?
F1 F5 P1 40(7) 7_566 . ?
F3 F6 P1 86.0(14) 7_566 . ?
F2 F4 P1 105(6) 7_566 . ?
F11 P2 F12 90.5(3) . . ?
F11 P2 F13 93.8(3) . . ?
F11 P2 F15 90.5(3) . . ?
F11 P2 F16 88.7(3) . . ?
F11 P2 F14 171.8(5) . . ?
F12 P2 F13 92.2(5) . . ?
F15 P2 F12 178.0(6) . . ?
F15 P2 F13 86.0(4) . . ?
F16 P2 F12 90.0(5) . . ?
F16 P2 F13 176.7(4) . . ?
F16 P2 F15 91.8(4) . . ?
F14 P2 F12 93.3(8) . . ?
F14 P2 F13 93.3(4) . . ?
F14 P2 F15 85.9(8) . . ?
F14 P2 F16 84.0(5) . . ?
C6S C1S H1S 120.0 . . ?
C6S C1S C2S 120.0 . . ?
C2S C1S H1S 120.0 . . ?
C1S C6S C7S 114.0(10) . . ?
C5S C6S C1S 120.0 . . ?
C5S C6S C7S 125.8(10) . . ?
C6S C5S H5S 120.0 . . ?
C6S C5S C3S 120.0 . . ?
C3S C5S H5S 120.0 . . ?
C5S C3S H3S 120.0 . . ?
C5S C3S C4S 120.0 . . ?
C4S C3S H3S 120.0 . . ?
C3S C4S H4S 120.0 . . ?
C3S C4S C2S 120.0 . . ?
C2S C4S H4S 120.0 . . ?
C1S C2S H2S 120.0 . . ?
C4S C2S C1S 120.0 . . ?
C4S C2S H2S 120.0 . . ?
C6S C7S H7SA 109.5 . . ?
C6S C7S H7SB 109.5 . . ?
C6S C7S H7SC 109.5 . . ?
H7SA C7S H7SB 109.5 . . ?
H7SA C7S H7SC 109.5 . . ?
H7SB C7S H7SC 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
Sb1 N1 C7 C2 3.3(2) . . . . ?
Sb1 N1 C8 C13 42.2(2) . . . . ?
Sb1 N1 C8 C9 -133.84(16) . . . . ?
Sb1 N2 C16 C6 -0.7(2) . . . . ?
Sb1 N2 C17 C18 -44.3(2) . . . . ?
Sb1 N2 C17 C22 130.44(17) . . . . ?
N1 C8 C13 N3 4.4(3) . . . . ?
N1 C8 C13 C12 -175.00(18) . . . . ?
N1 C8 C9 C10 174.96(19) . . . . ?
N2 C17 C18 N4 -10.9(3) . . . . ?
N2 C17 C18 C19 168.88(17) . . . . ?
N2 C17 C22 C21 -170.26(18) . . . . ?
N3 C13 C12 C11 -179.9(2) . . . . ?
N4 C18 C19 C20 -177.48(19) . . . . ?
C6 C5 C4 C3 -1.7(3) . . . . ?
C2 C3 C4 C5 0.3(3) . . . . ?
C7 N1 C8 C13 -134.78(19) . . . . ?
C7 N1 C8 C9 49.2(3) . . . . ?
C7 C2 C1 Sb1 -9.7(2) . . . . ?
C7 C2 C1 C6 177.85(17) . . . . ?
C7 C2 C3 C4 -178.44(19) . . . . ?
C16 N2 C17 C18 134.1(2) . . . . ?
C16 N2 C17 C22 -51.2(3) . . . . ?
C16 C6 C1 Sb1 5.5(2) . . . . ?
C16 C6 C1 C2 177.89(18) . . . . ?
C16 C6 C5 C4 -175.7(2) . . . . ?
C1 C6 C16 N2 -2.8(3) . . . . ?
C1 C6 C5 C4 1.2(3) . . . . ?
C1 C2 C7 N1 3.6(3) . . . . ?
C1 C2 C3 C4 1.6(3) . . . . ?
C17 N2 C16 C6 -179.29(17) . . . . ?
C17 C18 C19 C20 2.8(3) . . . . ?
C17 C22 C21 C20 0.4(3) . . . . ?
C18 C17 C22 C21 4.3(3) . . . . ?
C18 C19 C20 C21 1.8(3) . . . . ?
C3 C2 C7 N1 -176.36(19) . . . . ?
C3 C2 C1 Sb1 170.24(15) . . . . ?
C3 C2 C1 C6 -2.2(3) . . . . ?
C8 N1 C7 C2 -179.41(16) . . . . ?
C8 C13 C12 C11 -0.5(3) . . . . ?
C8 C9 C10 C11 0.3(3) . . . . ?
C22 C17 C18 N4 174.44(18) . . . . ?
C22 C17 C18 C19 -5.8(3) . . . . ?
C13 C8 C9 C10 -1.0(3) . . . . ?
C5 C6 C16 N2 174.1(2) . . . . ?
C5 C6 C1 Sb1 -171.56(15) . . . . ?
C5 C6 C1 C2 0.8(3) . . . . ?
C9 C8 C13 N3 -179.53(18) . . . . ?
C9 C8 C13 C12 1.1(3) . . . . ?
C9 C10 C11 C12 0.2(4) . . . . ?
C19 C20 C21 C22 -3.4(3) . . . . ?
C10 C11 C12 C13 -0.1(4) . . . . ?
C14 N3 C13 C8 75.1(2) . . . . ?
C14 N3 C13 C12 -105.5(2) . . . . ?
C23 N4 C18 C17 -62.2(2) . . . . ?
C23 N4 C18 C19 118.1(2) . . . . ?
C24 N4 C18 C17 166.33(19) . . . . ?
C24 N4 C18 C19 -13.4(3) . . . . ?
C15 N3 C13 C8 -154.3(2) . . . . ?
C15 N3 C13 C12 25.1(3) . . . . ?
C26 C25 C30 C29 0.7(5) . . . . ?
C26 C27 C28 C29 1.2(4) . . . . ?
C30 C29 C28 C27 -0.5(4) . . . . ?
C30 C25 C26 C27 0.1(5) . . . . ?
C28 C29 C30 C25 -0.5(4) . . . . ?
C28 C27 C26 C25 -1.1(5) . . . . ?
C31 C27 C26 C25 177.9(3) . . . . ?
C31 C27 C28 C29 -177.8(3) . . . . ?
F1 P1 F2 F4 3(5) . . . 7_566 ?
F1 P1 F2 F4 -177(5) 7_566 . . 7_566 ?
F1 P1 F3 F6 113(7) . . . 7_566 ?
F1 P1 F3 F6 -67(7) 7_566 . . 7_566 ?
F1 P1 F6 F3 -113(7) . . . 7_566 ?
F1 P1 F6 F3 67(7) 7_566 . . 7_566 ?
F1 P1 F4 F2 177(5) 7_566 . . 7_566 ?
F1 P1 F4 F2 -3(5) . . . 7_566 ?
F2 P1 F1 F5 124(9) 7_566 . . 7_566 ?
F2 P1 F1 F5 -56(9) . . . 7_566 ?
F2 P1 F3 F6 30(7) 7_566 . . 7_566 ?
F2 P1 F3 F6 -150(7) . . . 7_566 ?
F2 P1 F5 F1 -125(8) 7_566 . . 7_566 ?
F2 P1 F5 F1 55(8) . . . 7_566 ?
F2 P1 F6 F3 150(7) . . . 7_566 ?
F2 P1 F6 F3 -30(7) 7_566 . . 7_566 ?
F3 P1 F1 F5 30(9) . . . 7_566 ?
F3 P1 F1 F5 -150(9) 7_566 . . 7_566 ?
F3 P1 F2 F4 -88(5) . . . 7_566 ?
F3 P1 F2 F4 92(5) 7_566 . . 7_566 ?
F3 P1 F5 F1 -30(9) . . . 7_566 ?
F3 P1 F5 F1 150(9) 7_566 . . 7_566 ?
F3 P1 F4 F2 88(5) . . . 7_566 ?
F3 P1 F4 F2 -92(5) 7_566 . . 7_566 ?
F5 P1 F2 F4 177(5) . . . 7_566 ?
F5 P1 F2 F4 -3(5) 7_566 . . 7_566 ?
F5 P1 F3 F6 -63(7) . . . 7_566 ?
F5 P1 F3 F6 117(7) 7_566 . . 7_566 ?
F5 P1 F6 F3 -117(7) 7_566 . . 7_566 ?
F5 P1 F6 F3 63(7) . . . 7_566 ?
F5 P1 F4 F2 -177(5) . . . 7_566 ?
F5 P1 F4 F2 3(5) 7_566 . . 7_566 ?
F6 P1 F1 F5 -143(9) . . . 7_566 ?
F6 P1 F1 F5 37(9) 7_566 . . 7_566 ?
F6 P1 F2 F4 -92(5) 7_566 . . 7_566 ?
F6 P1 F2 F4 88(5) . . . 7_566 ?
F6 P1 F5 F1 -37(9) 7_566 . . 7_566 ?
F6 P1 F5 F1 143(9) . . . 7_566 ?
F6 P1 F4 F2 91(5) 7_566 . . 7_566 ?
F6 P1 F4 F2 -89(5) . . . 7_566 ?
F4 P1 F1 F5 125(8) . . . 7_566 ?
F4 P1 F1 F5 -55(8) 7_566 . . 7_566 ?
F4 P1 F3 F6 -158(7) 7_566 . . 7_566 ?
F4 P1 F3 F6 22(7) . . . 7_566 ?
F4 P1 F5 F1 56(9) 7_566 . . 7_566 ?
F4 P1 F5 F1 -124(9) . . . 7_566 ?
F4 P1 F6 F3 -22(7) . . . 7_566 ?
F4 P1 F6 F3 158(7) 7_566 . . 7_566 ?
C1S C6S C5S C3S 0.0 . . . . ?
C6S C1S C2S C4S 0.0 . . . . ?
C6S C5S C3S C4S 0.0 . . . . ?
C5S C3S C4S C2S 0.0 . . . . ?
C3S C4S C2S C1S 0.0 . . . . ?
C2S C1S C6S C5S 0.0 . . . . ?
C2S C1S C6S C7S 176.4(11) . . . . ?
C7S C6S C5S C3S -175.9(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
