# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_x
_database_code_depnum_ccdc_archive 'CCDC 2128160'
loop_
_audit_author_name
_audit_author_address
'Yingchen Peng'
; Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2021-12-13 deposited with the CCDC.	2022-03-01 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            'C42 H43 Br5 N P2 Sb'
_chemical_formula_weight         1145.01

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'
Br Br -0.2901 2.4595 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+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                   22.833(2)
_cell_length_b                   16.9477(14)
_cell_length_c                   13.4634(12)
_cell_angle_alpha                90
_cell_angle_beta                 121.633(8)
_cell_angle_gamma                90
_cell_volume                     4435.9(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    6273
_cell_measurement_theta_min      3.0190
_cell_measurement_theta_max      27.6890

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_F_000             2232
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    5.227
_shelx_estimated_absorpt_T_min   0.421
_shelx_estimated_absorpt_T_max   0.508
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.19319
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25127
_diffrn_reflns_av_unetI/netI     0.0497
_diffrn_reflns_av_R_equivalents  0.0523
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.095
_diffrn_reflns_theta_max         29.815
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.902
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.902
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5748
_reflns_number_gt                3459
_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       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'DIAMOND. Version 4.6. Crystal Impact'
_computing_publication_material  'Microsoft Office 2018'
_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)+(0.0255P)²+4.8069P] 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         5748
_refine_ls_number_parameters     247
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0367
_refine_ls_wR_factor_ref         0.0845
_refine_ls_wR_factor_gt          0.0679
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_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 0.500000 0.74235(2) 0.750000 0.04169(10) Uani 1 2 d S T P . .
Br1 Br 0.500000 0.59368(3) 0.750000 0.05938(17) Uani 1 2 d S T P . .
Br2 Br 0.35727(2) 0.73950(2) 0.62127(4) 0.05601(12) Uani 1 1 d . . . . .
Br3 Br 0.49765(2) 0.74462(3) 0.54264(4) 0.06844(14) Uani 1 1 d . . . . .
P1 P 0.77224(5) 0.52128(5) 0.51267(8) 0.0399(2) Uani 1 1 d . . . . .
C1 C 0.85301(17) 0.5302(2) 0.6464(3) 0.0411(8) Uani 1 1 d . . . . .
C2 C 0.8867(2) 0.4628(2) 0.7089(3) 0.0549(10) Uani 1 1 d . . . . .
H2 H 0.868545 0.413215 0.678779 0.066 Uiso 1 1 calc R U . . .
C3 C 0.9471(2) 0.4694(3) 0.8155(4) 0.0702(13) Uani 1 1 d . . . . .
H3 H 0.969888 0.424214 0.857113 0.084 Uiso 1 1 calc R U . . .
C4 C 0.9733(2) 0.5416(3) 0.8600(4) 0.0732(14) Uani 1 1 d . . . . .
H4 H 1.014058 0.545483 0.932088 0.088 Uiso 1 1 calc R U . . .
C5 C 0.9404(2) 0.6090(3) 0.8001(4) 0.0702(13) Uani 1 1 d . . . . .
H5 H 0.958861 0.658159 0.831637 0.084 Uiso 1 1 calc R U . . .
C6 C 0.8799(2) 0.6036(2) 0.6929(3) 0.0569(10) Uani 1 1 d . . . . .
H6 H 0.857360 0.649105 0.652106 0.068 Uiso 1 1 calc R U . . .
C7 C 0.76336(19) 0.5982(2) 0.4148(3) 0.0462(9) Uani 1 1 d . . . . .
C8 C 0.8196(2) 0.6253(2) 0.4112(4) 0.0569(10) Uani 1 1 d . . . . .
H8 H 0.863603 0.608076 0.466698 0.068 Uiso 1 1 calc R U . . .
C9 C 0.8105(3) 0.6772(2) 0.3262(4) 0.0681(12) Uani 1 1 d . . . . .
H9 H 0.848361 0.694995 0.324017 0.082 Uiso 1 1 calc R U . . .
C10 C 0.7469(3) 0.7028(3) 0.2455(4) 0.0731(13) Uani 1 1 d . . . . .
H10 H 0.741305 0.737184 0.187365 0.088 Uiso 1 1 calc R U . . .
C11 C 0.6906(3) 0.6789(3) 0.2481(4) 0.0797(14) Uani 1 1 d . . . . .
H11 H 0.647171 0.697681 0.192934 0.096 Uiso 1 1 calc R U . . .
C12 C 0.6987(2) 0.6261(3) 0.3337(4) 0.0689(12) Uani 1 1 d . . . . .
H12 H 0.660615 0.609786 0.336209 0.083 Uiso 1 1 calc R U . . .
C13 C 0.70438(18) 0.5288(2) 0.5415(3) 0.0420(8) Uani 1 1 d . . . . .
C14 C 0.6975(2) 0.5980(2) 0.5894(4) 0.0597(11) Uani 1 1 d . . . . .
H14 H 0.727103 0.640062 0.604184 0.072 Uiso 1 1 calc R U . . .
C15 C 0.6468(2) 0.6044(3) 0.6152(4) 0.0697(13) Uani 1 1 d . . . . .
H15 H 0.641975 0.650927 0.646742 0.084 Uiso 1 1 calc R U . . .
C16 C 0.6037(2) 0.5426(3) 0.5945(4) 0.0712(13) Uani 1 1 d . . . . .
H16 H 0.569433 0.547230 0.611912 0.085 Uiso 1 1 calc R U . . .
C17 C 0.6103(2) 0.4739(3) 0.5484(4) 0.0714(13) Uani 1 1 d . . . . .
H17 H 0.580786 0.431910 0.534712 0.086 Uiso 1 1 calc R U . . .
C18 C 0.6611(2) 0.4666(2) 0.5219(3) 0.0562(10) Uani 1 1 d . . . . .
H18 H 0.665789 0.419666 0.490994 0.067 Uiso 1 1 calc R U . . .
C19 C 0.76793(19) 0.4280(2) 0.4457(3) 0.0491(9) Uani 1 1 d . . . . .
H19A H 0.772956 0.385970 0.498515 0.059 Uiso 1 1 calc R U . . .
H19B H 0.722958 0.422646 0.375279 0.059 Uiso 1 1 calc R U . . .
C20 C 0.8230(2) 0.4185(2) 0.4148(4) 0.0657(12) Uani 1 1 d . . . . .
H20A H 0.815434 0.456543 0.356359 0.099 Uiso 1 1 calc R U . . .
H20B H 0.820614 0.366296 0.385392 0.099 Uiso 1 1 calc R U . . .
H20C H 0.867587 0.426836 0.483299 0.099 Uiso 1 1 calc R U . . .
N1 N 0.5697(9) 0.7284(8) 0.3406(14) 0.157(6) Uani 0.5 1 d . . P A -1
C21 C 0.5354(7) 0.6823(8) 0.2967(14) 0.103(4) Uani 0.5 1 d . . P A -1
C22 C 0.5008(18) 0.6213(10) 0.208(2) 0.179(11) Uani 0.5 1 d . . P A -1
H22D H 0.500818 0.636077 0.138812 0.269 Uiso 0.5 1 calc R U P A -1
H22A H 0.454284 0.615630 0.188967 0.269 Uiso 0.5 1 calc R U P A -1
H22B H 0.524664 0.572056 0.236690 0.269 Uiso 0.5 1 calc R U P A -1


_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 Br1 2.5196(7) . ?
Sb1 Br3 2.7643(5) . ?
Sb1 Br3 2.7644(5) 2_656 ?
Sb1 Br2 2.7753(5) 2_656 ?
Sb1 Br2 2.7754(5) . ?
P1 C1 1.784(3) . ?
P1 C13 1.788(4) . ?
P1 C7 1.788(4) . ?
P1 C19 1.796(3) . ?
C1 C6 1.383(5) . ?
C1 C2 1.388(5) . ?
C2 C3 1.378(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.356(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.372(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.382(5) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.380(5) . ?
C7 C8 1.388(5) . ?
C8 C9 1.372(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.350(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.364(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.392(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.373(5) . ?
C13 C14 1.387(5) . ?
C14 C15 1.375(5) . ?
C14 H14 0.9300 . ?
C15 C16 1.363(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.365(6) . ?
C16 H16 0.9300 . ?
C17 C18 1.384(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.526(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
N1 C21 1.043(16) . ?
C21 C22 1.46(2) . ?
C22 H22D 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 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
Br1 Sb1 Br3 90.797(12) . . ?
Br1 Sb1 Br3 90.797(12) . 2_656 ?
Br3 Sb1 Br3 178.41(2) . 2_656 ?
Br1 Sb1 Br2 89.004(11) . 2_656 ?
Br3 Sb1 Br2 91.453(16) . 2_656 ?
Br3 Sb1 Br2 88.576(16) 2_656 2_656 ?
Br1 Sb1 Br2 89.003(11) . . ?
Br3 Sb1 Br2 88.575(16) . . ?
Br3 Sb1 Br2 91.451(17) 2_656 . ?
Br2 Sb1 Br2 178.01(2) 2_656 . ?
C1 P1 C13 109.25(16) . . ?
C1 P1 C7 109.86(17) . . ?
C13 P1 C7 109.37(17) . . ?
C1 P1 C19 109.66(17) . . ?
C13 P1 C19 110.22(17) . . ?
C7 P1 C19 108.48(17) . . ?
C6 C1 C2 119.6(4) . . ?
C6 C1 P1 120.7(3) . . ?
C2 C1 P1 119.5(3) . . ?
C3 C2 C1 119.9(4) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C4 C3 C2 120.2(4) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 120.9(4) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C4 C5 C6 119.9(4) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 119.7(4) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
C12 C7 C8 119.0(4) . . ?
C12 C7 P1 119.6(3) . . ?
C8 C7 P1 121.1(3) . . ?
C9 C8 C7 120.2(4) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C10 C9 C8 120.4(4) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 121.0(4) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C10 C11 C12 119.6(4) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C7 C12 C11 119.8(4) . . ?
C7 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C18 C13 C14 119.4(4) . . ?
C18 C13 P1 121.5(3) . . ?
C14 C13 P1 119.0(3) . . ?
C15 C14 C13 120.0(4) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C14 120.1(4) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.5(4) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 120.1(4) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C13 C18 C17 119.9(4) . . ?
C13 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C20 C19 P1 113.2(3) . . ?
C20 C19 H19A 108.9 . . ?
P1 C19 H19A 108.9 . . ?
C20 C19 H19B 108.9 . . ?
P1 C19 H19B 108.9 . . ?
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 . . ?
N1 C21 C22 157(2) . . ?
C21 C22 H22D 109.5 . . ?
C21 C22 H22A 109.5 . . ?
H22D C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22D C22 H22B 109.5 . . ?
H22A C22 H22B 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
C13 P1 C1 C6 -82.9(3) . . . . ?
C7 P1 C1 C6 37.1(3) . . . . ?
C19 P1 C1 C6 156.2(3) . . . . ?
C13 P1 C1 C2 92.3(3) . . . . ?
C7 P1 C1 C2 -147.8(3) . . . . ?
C19 P1 C1 C2 -28.6(3) . . . . ?
C6 C1 C2 C3 -1.0(6) . . . . ?
P1 C1 C2 C3 -176.2(3) . . . . ?
C1 C2 C3 C4 0.6(6) . . . . ?
C2 C3 C4 C5 0.0(7) . . . . ?
C3 C4 C5 C6 -0.2(7) . . . . ?
C4 C5 C6 C1 -0.3(6) . . . . ?
C2 C1 C6 C5 0.8(6) . . . . ?
P1 C1 C6 C5 176.0(3) . . . . ?
C1 P1 C7 C12 -150.6(3) . . . . ?
C13 P1 C7 C12 -30.7(4) . . . . ?
C19 P1 C7 C12 89.6(4) . . . . ?
C1 P1 C7 C8 35.7(4) . . . . ?
C13 P1 C7 C8 155.6(3) . . . . ?
C19 P1 C7 C8 -84.2(3) . . . . ?
C12 C7 C8 C9 -1.8(6) . . . . ?
P1 C7 C8 C9 172.0(3) . . . . ?
C7 C8 C9 C10 0.2(7) . . . . ?
C8 C9 C10 C11 1.3(7) . . . . ?
C9 C10 C11 C12 -1.3(8) . . . . ?
C8 C7 C12 C11 1.8(7) . . . . ?
P1 C7 C12 C11 -172.0(4) . . . . ?
C10 C11 C12 C7 -0.3(7) . . . . ?
C1 P1 C13 C18 -115.4(3) . . . . ?
C7 P1 C13 C18 124.3(3) . . . . ?
C19 P1 C13 C18 5.1(4) . . . . ?
C1 P1 C13 C14 61.7(3) . . . . ?
C7 P1 C13 C14 -58.5(3) . . . . ?
C19 P1 C13 C14 -177.7(3) . . . . ?
C18 C13 C14 C15 -1.1(6) . . . . ?
P1 C13 C14 C15 -178.3(3) . . . . ?
C13 C14 C15 C16 0.5(7) . . . . ?
C14 C15 C16 C17 0.1(7) . . . . ?
C15 C16 C17 C18 -0.2(7) . . . . ?
C14 C13 C18 C17 1.0(6) . . . . ?
P1 C13 C18 C17 178.2(3) . . . . ?
C16 C17 C18 C13 -0.4(7) . . . . ?
C1 P1 C19 C20 -61.6(3) . . . . ?
C13 P1 C19 C20 178.1(3) . . . . ?
C7 P1 C19 C20 58.4(3) . . . . ?

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
C2 H2 Br2 0.93 3.02 3.915(4) 161.9 3_545 yes
C6 H6 N1^a 0.93 2.63 3.191(14) 119.3 7_666 yes
C18 H18 Br2 0.93 3.00 3.905(4) 164.5 5_666 yes
C19 H19A Br2 0.97 3.04 3.860(4) 142.7 3_545 yes
C22^a H22D^a Br3 0.96 3.07 3.981(17) 158.4 2_655 yes
C22^a H22B^a Br1 0.96 2.89 3.689(16) 141.5 5_666 yes

_refine_diff_density_max         0.614
_refine_diff_density_min         -0.789
_refine_diff_density_rms         0.096

####################################################################### 
# 
# 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_x_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2128161'
loop_
_audit_author_name
_audit_author_address
'Yingchen Peng'
; Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2021-12-13 deposited with the CCDC.	2022-03-01 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            'C42 H46 Br5 O P2 Sb'
_chemical_formula_weight         1150.03

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'
Br Br -0.2901 2.4595 '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'
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      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+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                   22.569(2)
_cell_length_b                   16.6933(16)
_cell_length_c                   13.6310(12)
_cell_angle_alpha                90
_cell_angle_beta                 120.949(8)
_cell_angle_gamma                90
_cell_volume                     4404.4(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3818
_cell_measurement_theta_min      3.3660
_cell_measurement_theta_max      28.6990

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_F_000             2248
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.400
_exptl_absorpt_coefficient_mu    5.266
_shelx_estimated_absorpt_T_min   0.144
_shelx_estimated_absorpt_T_max   0.227
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.27236
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?
_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  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            12260
_diffrn_reflns_av_unetI/netI     0.0626
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.440
_diffrn_reflns_theta_max         29.783
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.828
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.828
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.828
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             5226
_reflns_number_gt                3534
_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       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'DIAMOND. Version 4.6. Crystal Impact'
_computing_publication_material  'Microsoft Office 2018'
_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)+(0.0255P)²+4.8069P] 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     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00106(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5226
_refine_ls_number_parameters     248
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0776
_refine_ls_R_factor_gt           0.0435
_refine_ls_wR_factor_ref         0.0903
_refine_ls_wR_factor_gt          0.0769
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.006
_refine_ls_shift/su_max          0.001
_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 0.500000 0.74710(2) 0.750000 0.03187(12) Uani 1 2 d S T P . .
Br1 Br 0.500000 0.59630(4) 0.750000 0.04775(19) Uani 1 2 d S T P . .
Br2 Br 0.35668(2) 0.74235(3) 0.62102(4) 0.04509(14) Uani 1 1 d . . . . .
Br3 Br 0.50167(3) 0.75179(3) 0.54819(4) 0.05520(16) Uani 1 1 d . . . . .
P1 P 0.77184(5) 0.52434(6) 0.51458(9) 0.0302(2) Uani 1 1 d . . . . .
C1 C 0.85228(18) 0.5362(2) 0.6457(3) 0.0315(9) Uani 1 1 d . . . . .
C2 C 0.8861(2) 0.4693(3) 0.7102(4) 0.0431(11) Uani 1 1 d . . . . .
H2 H 0.868650 0.418393 0.682568 0.052 Uiso 1 1 calc R U . . .
C3 C 0.9458(2) 0.4780(3) 0.8162(4) 0.0531(13) Uani 1 1 d . . . . .
H3 H 0.968765 0.433116 0.859755 0.064 Uiso 1 1 calc R U . . .
C4 C 0.9708(2) 0.5531(4) 0.8559(4) 0.0576(14) Uani 1 1 d . . . . .
H4 H 1.010645 0.559071 0.927283 0.069 Uiso 1 1 calc R U . . .
C5 C 0.9384(2) 0.6193(3) 0.7929(4) 0.0543(13) Uani 1 1 d . . . . .
H5 H 0.956194 0.669921 0.821209 0.065 Uiso 1 1 calc R U . . .
C6 C 0.8791(2) 0.6116(3) 0.6869(4) 0.0442(11) Uani 1 1 d . . . . .
H6 H 0.857215 0.656888 0.643420 0.053 Uiso 1 1 calc R U . . .
C7 C 0.76068(18) 0.6025(2) 0.4164(3) 0.0329(9) Uani 1 1 d . . . . .
C8 C 0.8158(2) 0.6279(3) 0.4069(4) 0.0451(11) Uani 1 1 d . . . . .
H8 H 0.860099 0.610069 0.459269 0.054 Uiso 1 1 calc R U . . .
C9 C 0.8057(3) 0.6793(3) 0.3209(4) 0.0564(13) Uani 1 1 d . . . . .
H9 H 0.843070 0.696035 0.314982 0.068 Uiso 1 1 calc R U . . .
C10 C 0.7407(3) 0.7058(3) 0.2442(4) 0.0574(13) Uani 1 1 d . . . . .
H10 H 0.733668 0.739550 0.184931 0.069 Uiso 1 1 calc R U . . .
C11 C 0.6859(2) 0.6830(3) 0.2539(4) 0.0611(14) Uani 1 1 d . . . . .
H11 H 0.641972 0.702137 0.201891 0.073 Uiso 1 1 calc R U . . .
C12 C 0.6951(2) 0.6316(3) 0.3403(4) 0.0517(13) Uani 1 1 d . . . . .
H12 H 0.657694 0.616777 0.347272 0.062 Uiso 1 1 calc R U . . .
C13 C 0.70392(18) 0.5279(2) 0.5457(3) 0.0314(9) Uani 1 1 d . . . . .
C14 C 0.6971(2) 0.5954(3) 0.5986(4) 0.0453(11) Uani 1 1 d . . . . .
H14 H 0.726884 0.638510 0.615077 0.054 Uiso 1 1 calc R U . . .
C15 C 0.6470(2) 0.5990(3) 0.6269(4) 0.0549(13) Uani 1 1 d . . . . .
H15 H 0.642540 0.644390 0.662162 0.066 Uiso 1 1 calc R U . . .
C16 C 0.6035(2) 0.5346(3) 0.6023(4) 0.0558(14) Uani 1 1 d . . . . .
H16 H 0.569576 0.536846 0.621712 0.067 Uiso 1 1 calc R U . . .
C17 C 0.6088(2) 0.4680(3) 0.5505(4) 0.0552(13) Uani 1 1 d . . . . .
H17 H 0.578452 0.425485 0.533925 0.066 Uiso 1 1 calc R U . . .
C18 C 0.6599(2) 0.4636(3) 0.5222(4) 0.0446(11) Uani 1 1 d . . . . .
H18 H 0.664437 0.417804 0.487734 0.053 Uiso 1 1 calc R U . . .
C19 C 0.7707(2) 0.4300(3) 0.4507(4) 0.0383(10) Uani 1 1 d . . . . .
H19A H 0.776123 0.387352 0.503045 0.046 Uiso 1 1 calc R U . . .
H19B H 0.725958 0.423182 0.381597 0.046 Uiso 1 1 calc R U . . .
C20 C 0.8268(2) 0.4214(3) 0.4205(4) 0.0564(13) Uani 1 1 d . . . . .
H20A H 0.819958 0.460982 0.364569 0.085 Uiso 1 1 calc R U . . .
H20B H 0.824349 0.368882 0.389898 0.085 Uiso 1 1 calc R U . . .
H20C H 0.871284 0.428867 0.488073 0.085 Uiso 1 1 calc R U . . .
O1 O 0.5559(4) 0.7060(6) 0.3561(8) 0.098(3) Uani 0.5 1 d D . P A -1
H1A H 0.564076 0.718141 0.420203 0.147 Uiso 0.5 1 calc R U P A -1
C21 C 0.5059(12) 0.6510(14) 0.3110(19) 0.175(14) Uani 0.5 1 d D . P A -1
H21A H 0.464877 0.672471 0.307303 0.209 Uiso 0.5 1 calc R U P A -1
H21B H 0.520508 0.604340 0.360500 0.209 Uiso 0.5 1 calc R U P A -1
C22 C 0.4889(9) 0.6265(10) 0.1960(15) 0.067(5) Uani 0.5 1 d D . P A -1
H22D H 0.470163 0.671395 0.144972 0.101 Uiso 0.5 1 calc R U P A -1
H22A H 0.455343 0.584139 0.169299 0.101 Uiso 0.5 1 calc R U P A -1
H22B H 0.529876 0.607988 0.198521 0.101 Uiso 0.5 1 calc R U P A -1


_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 Br1 2.5174(8) . ?
Sb1 Br3 2.7717(5) . ?
Sb1 Br3 2.7717(5) 2_656 ?
Sb1 Br2 2.7769(5) . ?
Sb1 Br2 2.7770(5) 2_656 ?
P1 C1 1.787(4) . ?
P1 C13 1.789(4) . ?
P1 C7 1.791(4) . ?
P1 C19 1.794(4) . ?
C1 C2 1.383(6) . ?
C1 C6 1.385(6) . ?
C2 C3 1.387(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.368(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.359(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.380(6) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C8 1.381(5) . ?
C7 C12 1.387(5) . ?
C8 C9 1.375(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.366(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.362(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.384(6) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.382(6) . ?
C13 C14 1.388(6) . ?
C14 C15 1.371(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.378(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.354(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.396(6) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.525(5) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
O1 C21 1.335(16) . ?
O1 H1A 0.8200 . ?
C21 C22 1.467(14) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 H22D 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 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
Br1 Sb1 Br3 91.619(13) . . ?
Br1 Sb1 Br3 91.618(13) . 2_656 ?
Br3 Sb1 Br3 176.76(3) . 2_656 ?
Br1 Sb1 Br2 88.363(12) . . ?
Br3 Sb1 Br2 88.764(17) . . ?
Br3 Sb1 Br2 91.327(17) 2_656 . ?
Br1 Sb1 Br2 88.362(12) . 2_656 ?
Br3 Sb1 Br2 91.328(17) . 2_656 ?
Br3 Sb1 Br2 88.766(17) 2_656 2_656 ?
Br2 Sb1 Br2 176.72(2) . 2_656 ?
C1 P1 C13 108.24(17) . . ?
C1 P1 C7 110.32(18) . . ?
C13 P1 C7 110.14(18) . . ?
C1 P1 C19 109.65(19) . . ?
C13 P1 C19 110.12(19) . . ?
C7 P1 C19 108.4(2) . . ?
C2 C1 C6 119.6(4) . . ?
C2 C1 P1 119.4(3) . . ?
C6 C1 P1 120.9(3) . . ?
C1 C2 C3 120.0(4) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 119.4(5) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C5 C4 C3 121.1(4) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C4 C5 C6 120.2(5) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 119.7(4) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
C8 C7 C12 119.2(4) . . ?
C8 C7 P1 120.4(3) . . ?
C12 C7 P1 120.0(3) . . ?
C9 C8 C7 120.7(4) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C10 C9 C8 119.7(4) . . ?
C10 C9 H9 120.2 . . ?
C8 C9 H9 120.2 . . ?
C11 C10 C9 120.5(5) . . ?
C11 C10 H10 119.8 . . ?
C9 C10 H10 119.8 . . ?
C10 C11 C12 120.6(4) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C11 C12 C7 119.3(4) . . ?
C11 C12 H12 120.4 . . ?
C7 C12 H12 120.4 . . ?
C18 C13 C14 119.5(4) . . ?
C18 C13 P1 121.3(3) . . ?
C14 C13 P1 119.1(3) . . ?
C15 C14 C13 120.7(4) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 119.0(5) . . ?
C14 C15 H15 120.5 . . ?
C16 C15 H15 120.5 . . ?
C17 C16 C15 121.6(4) . . ?
C17 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C16 C17 C18 119.7(5) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
C13 C18 C17 119.5(4) . . ?
C13 C18 H18 120.2 . . ?
C17 C18 H18 120.2 . . ?
C20 C19 P1 114.0(3) . . ?
C20 C19 H19A 108.8 . . ?
P1 C19 H19A 108.8 . . ?
C20 C19 H19B 108.8 . . ?
P1 C19 H19B 108.8 . . ?
H19A C19 H19B 107.6 . . ?
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 . . ?
C21 O1 H1A 109.5 . . ?
O1 C21 C22 112.3(18) . . ?
O1 C21 H21A 109.2 . . ?
C22 C21 H21A 109.2 . . ?
O1 C21 H21B 109.2 . . ?
C22 C21 H21B 109.2 . . ?
H21A C21 H21B 107.9 . . ?
C21 C22 H22D 109.5 . . ?
C21 C22 H22A 109.5 . . ?
H22D C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22D C22 H22B 109.5 . . ?
H22A C22 H22B 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
C13 P1 C1 C2 88.7(3) . . . . ?
C7 P1 C1 C2 -150.7(3) . . . . ?
C19 P1 C1 C2 -31.4(4) . . . . ?
C13 P1 C1 C6 -87.3(4) . . . . ?
C7 P1 C1 C6 33.3(4) . . . . ?
C19 P1 C1 C6 152.5(3) . . . . ?
C6 C1 C2 C3 0.9(6) . . . . ?
P1 C1 C2 C3 -175.2(3) . . . . ?
C1 C2 C3 C4 0.1(7) . . . . ?
C2 C3 C4 C5 -0.7(7) . . . . ?
C3 C4 C5 C6 0.2(7) . . . . ?
C4 C5 C6 C1 0.8(7) . . . . ?
C2 C1 C6 C5 -1.3(6) . . . . ?
P1 C1 C6 C5 174.7(3) . . . . ?
C1 P1 C7 C8 40.3(4) . . . . ?
C13 P1 C7 C8 159.8(3) . . . . ?
C19 P1 C7 C8 -79.7(4) . . . . ?
C1 P1 C7 C12 -146.9(4) . . . . ?
C13 P1 C7 C12 -27.5(4) . . . . ?
C19 P1 C7 C12 93.0(4) . . . . ?
C12 C7 C8 C9 -2.2(7) . . . . ?
P1 C7 C8 C9 170.6(4) . . . . ?
C7 C8 C9 C10 0.2(8) . . . . ?
C8 C9 C10 C11 1.5(8) . . . . ?
C9 C10 C11 C12 -1.1(8) . . . . ?
C10 C11 C12 C7 -0.9(8) . . . . ?
C8 C7 C12 C11 2.5(7) . . . . ?
P1 C7 C12 C11 -170.3(4) . . . . ?
C1 P1 C13 C18 -119.0(4) . . . . ?
C7 P1 C13 C18 120.3(4) . . . . ?
C19 P1 C13 C18 0.8(4) . . . . ?
C1 P1 C13 C14 58.4(4) . . . . ?
C7 P1 C13 C14 -62.3(4) . . . . ?
C19 P1 C13 C14 178.2(3) . . . . ?
C18 C13 C14 C15 -0.5(7) . . . . ?
P1 C13 C14 C15 -177.9(3) . . . . ?
C13 C14 C15 C16 0.2(7) . . . . ?
C14 C15 C16 C17 -0.3(8) . . . . ?
C15 C16 C17 C18 0.7(8) . . . . ?
C14 C13 C18 C17 0.9(7) . . . . ?
P1 C13 C18 C17 178.3(3) . . . . ?
C16 C17 C18 C13 -1.1(7) . . . . ?
C1 P1 C19 C20 -61.3(4) . . . . ?
C13 P1 C19 C20 179.8(3) . . . . ?
C7 P1 C19 C20 59.2(4) . . . . ?

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
C2 H2 Br2 0.93 3.03 3.929(5) 163.1 3_545 yes
C18 H18 Br2 0.93 2.97 3.876(5) 163.7 5_666 yes
C19 H19A Br2 0.97 2.96 3.786(4) 144.1 3_545 yes
O1^a H1A^a Br3 0.82 2.81 3.498(9) 143.4 . yes

_refine_diff_density_max         0.769
_refine_diff_density_min         -0.914
_refine_diff_density_rms         0.108

