# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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. 
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data_mo_20221104_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2323855'
loop_
_audit_author_name
_audit_author_address
Cu-Ac
;Fujian Institute of Research on the Structure of Matter
China
;
_audit_update_record             
;
2024-01-07 deposited with the CCDC.	2024-03-31 downloaded from the CCDC.
;
_audit_creation_date             2024-01-05
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C33 H29 Br2 Cu2 N2 P'
_chemical_formula_sum            'C33 H29 Br2 Cu2 N2 P'
_chemical_formula_weight         771.45
_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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_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                   12.4898(6)
_cell_length_b                   14.4877(6)
_cell_length_c                   16.7458(7)
_cell_angle_alpha                90
_cell_angle_beta                 96.065(2)
_cell_angle_gamma                90
_cell_volume                     3013.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5928
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      22.90
_cell_measurement_theta_min      2.40
_shelx_estimated_absorpt_T_max   0.491
_shelx_estimated_absorpt_T_min   0.491
_exptl_absorpt_coefficient_mu    4.143
_exptl_absorpt_correction_T_max  0.7428
_exptl_absorpt_correction_T_min  0.6596
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear yellowish yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1418
_diffrn_reflns_av_unetI/netI     0.0729
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            60621
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.560
_diffrn_reflns_theta_min         2.566
_diffrn_ambient_temperature      200.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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                4301
_reflns_number_total             6950
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_refine_diff_density_max         3.125
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.147
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         6950
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1185
_refine_ls_R_factor_gt           0.0649
_refine_ls_restrained_S_all      1.028
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0758P)²+16.3379P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1872
_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:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C17(H17), C18(H18), C19(H19), C20(H20), C27(H27), C28(H28), C29(H29),
  C30(H30), C31(H31), C32(H32)
2.b Idealised Me refined as rotating group:
 C23(H23a,H23b,H23c), C24(H24a,H24b,H24c), C33(H33a,H33b,H33c)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Br1 Br 0.28312(7) 1.04130(5) 0.56909(5) 0.0455(2) Uani 1 1 d . . . . .
Br2 Br 0.42113(7) 0.98882(5) 0.38000(5) 0.0421(2) Uani 1 1 d . . . . .
Cu1 Cu 0.63847(8) 0.87938(7) 0.52784(6) 0.0434(3) Uani 1 1 d . . . . .
Cu2 Cu 0.42245(8) 0.93520(6) 0.52541(6) 0.0393(3) Uani 1 1 d . . . . .
P1 P 0.41941(14) 0.78154(12) 0.53817(11) 0.0281(4) Uani 1 1 d . . . . .
N1 N 0.6250(4) 0.7770(4) 0.6018(3) 0.0283(12) Uani 1 1 d . . . . .
N2 N 0.7958(4) 0.6735(4) 0.7715(3) 0.0303(13) Uani 1 1 d . . . . .
C1 C 0.4383(5) 0.7085(5) 0.4514(4) 0.0291(14) Uani 1 1 d . . . . .
C2 C 0.4965(6) 0.6269(5) 0.4557(5) 0.0417(18) Uani 1 1 d . . . . .
H2 H 0.5336 0.6081 0.5055 0.050 Uiso 1 1 calc R . . . .
C3 C 0.5010(7) 0.5723(6) 0.3879(6) 0.051(2) Uani 1 1 d . . . . .
H3 H 0.5416 0.5167 0.3913 0.061 Uiso 1 1 calc R . . . .
C4 C 0.4460(8) 0.5992(6) 0.3149(5) 0.055(2) Uani 1 1 d . . . . .
H4 H 0.4496 0.5629 0.2680 0.066 Uiso 1 1 calc R . . . .
C5 C 0.3856(8) 0.6802(7) 0.3118(5) 0.055(2) Uani 1 1 d . . . . .
H5 H 0.3447 0.6973 0.2630 0.066 Uiso 1 1 calc R . . . .
C6 C 0.3842(7) 0.7353(6) 0.3778(5) 0.0441(19) Uani 1 1 d . . . . .
H6 H 0.3463 0.7923 0.3736 0.053 Uiso 1 1 calc R . . . .
C7 C 0.2956(5) 0.7359(5) 0.5724(4) 0.0289(14) Uani 1 1 d . . . . .
C8 C 0.2313(5) 0.7963(5) 0.6110(4) 0.0304(15) Uani 1 1 d . . . . .
H8 H 0.2516 0.8592 0.6179 0.037 Uiso 1 1 calc R . . . .
C9 C 0.1378(6) 0.7644(6) 0.6394(4) 0.0402(18) Uani 1 1 d . . . . .
H9 H 0.0940 0.8060 0.6654 0.048 Uiso 1 1 calc R . . . .
C10 C 0.1075(6) 0.6739(6) 0.6304(5) 0.0433(19) Uani 1 1 d . . . . .
H10 H 0.0436 0.6528 0.6507 0.052 Uiso 1 1 calc R . . . .
C11 C 0.1702(6) 0.6136(5) 0.5918(5) 0.0433(19) Uani 1 1 d . . . . .
H11 H 0.1494 0.5507 0.5858 0.052 Uiso 1 1 calc R . . . .
C12 C 0.2633(6) 0.6438(5) 0.5616(5) 0.0409(18) Uani 1 1 d . . . . .
H12 H 0.3050 0.6022 0.5338 0.049 Uiso 1 1 calc R . . . .
C13 C 0.5267(5) 0.7407(4) 0.6131(4) 0.0279(14) Uani 1 1 d . . . . .
C14 C 0.7116(5) 0.7539(5) 0.6531(4) 0.0293(14) Uani 1 1 d . . . . .
C15 C 0.7013(5) 0.6952(5) 0.7184(4) 0.0277(14) Uani 1 1 d . . . . .
C16 C 0.8254(6) 0.7326(5) 0.8373(4) 0.0306(15) Uani 1 1 d . . . . .
C17 C 0.7553(6) 0.8023(5) 0.8560(5) 0.0412(18) Uani 1 1 d . . . . .
H17 H 0.6889 0.8106 0.8236 0.049 Uiso 1 1 calc R . . . .
C18 C 0.7815(7) 0.8594(6) 0.9214(5) 0.047(2) Uani 1 1 d . . . . .
H18 H 0.7319 0.9049 0.9353 0.056 Uiso 1 1 calc R . . . .
C19 C 0.8799(8) 0.8499(6) 0.9664(5) 0.050(2) Uani 1 1 d . . . . .
H19 H 0.8995 0.8898 1.0105 0.060 Uiso 1 1 calc R . . . .
C20 C 0.9498(7) 0.7816(6) 0.9465(5) 0.0447(19) Uani 1 1 d . . . . .
H20 H 1.0174 0.7757 0.9779 0.054 Uiso 1 1 calc R . . . .
C21 C 0.9256(6) 0.7212(5) 0.8827(4) 0.0339(16) Uani 1 1 d . . . . .
C22 C 1.0063(6) 0.6463(5) 0.8662(4) 0.0365(17) Uani 1 1 d . . . . .
C23 C 1.0267(8) 0.5858(6) 0.9403(5) 0.057(2) Uani 1 1 d . . . . .
H23A H 0.9602 0.5536 0.9497 0.085 Uiso 1 1 calc GR . . . .
H23B H 1.0504 0.6242 0.9870 0.085 Uiso 1 1 calc GR . . . .
H23C H 1.0827 0.5404 0.9321 0.085 Uiso 1 1 calc GR . . . .
C24 C 1.1108(7) 0.6938(7) 0.8504(6) 0.058(2) Uani 1 1 d . . . . .
H24A H 1.0979 0.7330 0.8027 0.088 Uiso 1 1 calc GR . . . .
H24B H 1.1650 0.6471 0.8415 0.088 Uiso 1 1 calc GR . . . .
H24C H 1.1368 0.7318 0.8968 0.088 Uiso 1 1 calc GR . . . .
C25 C 0.9641(6) 0.5864(5) 0.7950(4) 0.0311(15) Uani 1 1 d . . . . .
C26 C 0.8616(5) 0.6008(5) 0.7511(4) 0.0289(14) Uani 1 1 d . . . . .
C27 C 0.8277(7) 0.5426(5) 0.6876(5) 0.0396(18) Uani 1 1 d . . . . .
H27 H 0.7591 0.5522 0.6585 0.048 Uiso 1 1 calc R . . . .
C28 C 0.8919(7) 0.4705(5) 0.6656(5) 0.045(2) Uani 1 1 d . . . . .
H28 H 0.8673 0.4315 0.6218 0.054 Uiso 1 1 calc R . . . .
C29 C 0.9921(7) 0.4559(5) 0.7077(5) 0.0446(19) Uani 1 1 d . . . . .
H29 H 1.0372 0.4069 0.6939 0.053 Uiso 1 1 calc R . . . .
C30 C 1.0242(7) 0.5150(5) 0.7708(5) 0.0419(18) Uani 1 1 d . . . . .
H30 H 1.0932 0.5052 0.7992 0.050 Uiso 1 1 calc R . . . .
C31 C 0.6018(6) 0.6605(5) 0.7304(5) 0.0349(16) Uani 1 1 d . . . . .
H31 H 0.5939 0.6212 0.7748 0.042 Uiso 1 1 calc R . . . .
C32 C 0.5127(6) 0.6834(5) 0.6769(4) 0.0327(15) Uani 1 1 d . . . . .
H32 H 0.4434 0.6599 0.6842 0.039 Uiso 1 1 calc R . . . .
C33 C 0.8179(6) 0.7957(5) 0.6380(5) 0.0393(18) Uani 1 1 d . . . . .
H33A H 0.8160 0.8126 0.5811 0.059 Uiso 1 1 calc GR . . . .
H33B H 0.8756 0.7508 0.6516 0.059 Uiso 1 1 calc GR . . . .
H33C H 0.8312 0.8510 0.6712 0.059 Uiso 1 1 calc GR . . . .


_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
Br1 Cu1 2.2914(12) 3_676 ?
Br1 Cu2 2.4890(12) . ?
Br2 Cu1 2.6124(14) 3_676 ?
Br2 Cu2 2.6236(13) 3_676 ?
Br2 Cu2 2.5543(12) . ?
Cu1 Br1 2.2915(12) 3_676 ?
Cu1 Br2 2.6123(14) 3_676 ?
Cu1 Cu2 2.8128(14) . ?
Cu1 Cu2 2.9063(13) 3_676 ?
Cu1 N1 1.951(6) . ?
Cu2 Br2 2.6237(13) 3_676 ?
Cu2 Cu1 2.9064(13) 3_676 ?
Cu2 Cu2 2.8898(19) 3_676 ?
Cu2 P1 2.2371(19) . ?
P1 C1 1.833(7) . ?
P1 C7 1.829(7) . ?
P1 C13 1.834(7) . ?
N1 C13 1.367(9) . ?
N1 C14 1.352(8) . ?
N2 C15 1.437(8) . ?
N2 C16 1.413(9) . ?
N2 C26 1.399(9) . ?
C1 C2 1.385(10) . ?
C1 C6 1.396(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.390(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.393(13) . ?
C4 H4 0.9500 . ?
C4 C5 1.393(13) . ?
C5 H5 0.9500 . ?
C5 C6 1.365(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.392(10) . ?
C7 C12 1.400(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.386(10) . ?
C9 H9 0.9500 . ?
C9 C10 1.369(11) . ?
C10 H10 0.9500 . ?
C10 C11 1.379(11) . ?
C11 H11 0.9500 . ?
C11 C12 1.387(11) . ?
C12 H12 0.9500 . ?
C13 C32 1.378(9) . ?
C14 C15 1.401(9) . ?
C14 C33 1.505(9) . ?
C15 C31 1.374(10) . ?
C16 C17 1.394(10) . ?
C16 C21 1.403(10) . ?
C17 H17 0.9500 . ?
C17 C18 1.384(11) . ?
C18 H18 0.9500 . ?
C18 C19 1.379(12) . ?
C19 H19 0.9500 . ?
C19 C20 1.384(12) . ?
C20 H20 0.9500 . ?
C20 C21 1.391(10) . ?
C21 C22 1.525(11) . ?
C22 C23 1.519(10) . ?
C22 C24 1.523(11) . ?
C22 C25 1.524(10) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.422(10) . ?
C25 C30 1.364(10) . ?
C26 C27 1.389(10) . ?
C27 H27 0.9500 . ?
C27 C28 1.390(11) . ?
C28 H28 0.9500 . ?
C28 C29 1.386(12) . ?
C29 H29 0.9500 . ?
C29 C30 1.386(11) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.393(10) . ?
C32 H32 0.9500 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 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
Cu1 Br1 Cu2 74.76(4) 3_676 . ?
Cu1 Br2 Cu2 64.99(3) 3_676 3_676 ?
Cu2 Br2 Cu1 68.45(3) . 3_676 ?
Cu2 Br2 Cu2 67.83(4) . 3_676 ?
Br1 Cu1 Br2 102.81(4) 3_676 3_676 ?
Br1 Cu1 Cu2 55.72(3) 3_676 3_676 ?
Br1 Cu1 Cu2 109.06(4) 3_676 . ?
Br2 Cu1 Cu2 54.83(3) 3_676 3_676 ?
Br2 Cu1 Cu2 57.70(3) 3_676 . ?
Cu2 Cu1 Cu2 60.67(4) . 3_676 ?
N1 Cu1 Br1 154.57(17) . 3_676 ?
N1 Cu1 Br2 97.55(17) . 3_676 ?
N1 Cu1 Cu2 149.31(17) . 3_676 ?
N1 Cu1 Cu2 94.62(17) . . ?
Br1 Cu2 Br2 99.09(4) . . ?
Br1 Cu2 Br2 93.59(4) . 3_676 ?
Br1 Cu2 Cu1 150.77(5) . . ?
Br1 Cu2 Cu1 49.52(3) . 3_676 ?
Br1 Cu2 Cu2 101.34(5) . 3_676 ?
Br2 Cu2 Br2 112.17(4) . 3_676 ?
Br2 Cu2 Cu1 87.23(4) 3_676 3_676 ?
Br2 Cu2 Cu1 56.72(3) . 3_676 ?
Br2 Cu2 Cu1 57.31(3) 3_676 . ?
Br2 Cu2 Cu1 90.62(4) . . ?
Br2 Cu2 Cu2 54.94(4) 3_676 3_676 ?
Br2 Cu2 Cu2 57.22(4) . 3_676 ?
Cu1 Cu2 Cu1 119.33(4) . 3_676 ?
Cu1 Cu2 Cu2 61.26(4) . 3_676 ?
Cu2 Cu2 Cu1 58.06(4) 3_676 3_676 ?
P1 Cu2 Br1 124.54(6) . . ?
P1 Cu2 Br2 112.26(6) . 3_676 ?
P1 Cu2 Br2 113.28(6) . . ?
P1 Cu2 Cu1 74.84(5) . . ?
P1 Cu2 Cu1 160.48(7) . 3_676 ?
P1 Cu2 Cu2 133.89(7) . 3_676 ?
C1 P1 Cu2 119.6(2) . . ?
C1 P1 C13 102.2(3) . . ?
C7 P1 Cu2 114.4(2) . . ?
C7 P1 C1 102.9(3) . . ?
C7 P1 C13 104.5(3) . . ?
C13 P1 Cu2 111.6(2) . . ?
C13 N1 Cu1 121.3(4) . . ?
C14 N1 Cu1 118.4(4) . . ?
C14 N1 C13 119.1(6) . . ?
C16 N2 C15 118.7(5) . . ?
C26 N2 C15 118.6(5) . . ?
C26 N2 C16 122.3(6) . . ?
C2 C1 P1 124.2(5) . . ?
C2 C1 C6 119.1(7) . . ?
C6 C1 P1 116.6(6) . . ?
C1 C2 H2 119.7 . . ?
C1 C2 C3 120.6(8) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 119.9(8) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.5 . . ?
C5 C4 C3 118.9(8) . . ?
C5 C4 H4 120.5 . . ?
C4 C5 H5 119.5 . . ?
C6 C5 C4 121.1(8) . . ?
C6 C5 H5 119.5 . . ?
C1 C6 H6 119.8 . . ?
C5 C6 C1 120.3(8) . . ?
C5 C6 H6 119.8 . . ?
C8 C7 P1 117.8(5) . . ?
C8 C7 C12 119.1(7) . . ?
C12 C7 P1 123.1(6) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 C7 119.9(7) . . ?
C9 C8 H8 120.1 . . ?
C8 C9 H9 119.5 . . ?
C10 C9 C8 121.0(7) . . ?
C10 C9 H9 119.5 . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 119.6(7) . . ?
C11 C10 H10 120.2 . . ?
C10 C11 H11 119.6 . . ?
C10 C11 C12 120.7(7) . . ?
C12 C11 H11 119.6 . . ?
C7 C12 H12 120.2 . . ?
C11 C12 C7 119.6(7) . . ?
C11 C12 H12 120.2 . . ?
N1 C13 P1 112.5(5) . . ?
N1 C13 C32 121.9(6) . . ?
C32 C13 P1 125.5(5) . . ?
N1 C14 C15 120.8(6) . . ?
N1 C14 C33 117.0(6) . . ?
C15 C14 C33 122.1(6) . . ?
C14 C15 N2 118.6(6) . . ?
C31 C15 N2 121.7(6) . . ?
C31 C15 C14 119.7(6) . . ?
C17 C16 N2 119.7(6) . . ?
C17 C16 C21 120.5(7) . . ?
C21 C16 N2 119.7(6) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 C16 120.7(7) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 120.2 . . ?
C19 C18 C17 119.6(8) . . ?
C19 C18 H18 120.2 . . ?
C18 C19 H19 120.4 . . ?
C18 C19 C20 119.3(7) . . ?
C20 C19 H19 120.4 . . ?
C19 C20 H20 118.5 . . ?
C19 C20 C21 122.9(8) . . ?
C21 C20 H20 118.5 . . ?
C16 C21 C22 123.7(6) . . ?
C20 C21 C16 116.9(7) . . ?
C20 C21 C22 119.5(7) . . ?
C23 C22 C21 108.7(7) . . ?
C23 C22 C24 109.3(7) . . ?
C23 C22 C25 108.9(6) . . ?
C24 C22 C21 107.8(7) . . ?
C24 C22 C25 110.7(7) . . ?
C25 C22 C21 111.4(6) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C22 122.6(6) . . ?
C30 C25 C22 120.6(7) . . ?
C30 C25 C26 116.8(7) . . ?
N2 C26 C25 120.3(6) . . ?
C27 C26 N2 120.3(6) . . ?
C27 C26 C25 119.5(7) . . ?
C26 C27 H27 119.3 . . ?
C26 C27 C28 121.5(7) . . ?
C28 C27 H27 119.3 . . ?
C27 C28 H28 120.2 . . ?
C29 C28 C27 119.6(7) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 H29 121.1 . . ?
C30 C29 C28 117.8(7) . . ?
C30 C29 H29 121.1 . . ?
C25 C30 C29 124.8(7) . . ?
C25 C30 H30 117.6 . . ?
C29 C30 H30 117.6 . . ?
C15 C31 H31 120.3 . . ?
C15 C31 C32 119.5(7) . . ?
C32 C31 H31 120.3 . . ?
C13 C32 C31 119.0(7) . . ?
C13 C32 H32 120.5 . . ?
C31 C32 H32 120.5 . . ?
C14 C33 H33A 109.5 . . ?
C14 C33 H33B 109.5 . . ?
C14 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 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
Cu1 N1 C13 P1 11.9(7) . . . . ?
Cu1 N1 C13 C32 -165.4(5) . . . . ?
Cu1 N1 C14 C15 166.3(5) . . . . ?
Cu1 N1 C14 C33 -12.2(8) . . . . ?
Cu2 P1 C1 C2 141.4(6) . . . . ?
Cu2 P1 C1 C6 -42.7(6) . . . . ?
Cu2 P1 C7 C8 -19.9(6) . . . . ?
Cu2 P1 C7 C12 160.2(5) . . . . ?
Cu2 P1 C13 N1 -49.2(5) . . . . ?
Cu2 P1 C13 C32 127.9(6) . . . . ?
P1 C1 C2 C3 175.6(6) . . . . ?
P1 C1 C6 C5 -173.7(6) . . . . ?
P1 C7 C8 C9 -178.8(5) . . . . ?
P1 C7 C12 C11 177.7(6) . . . . ?
P1 C13 C32 C31 -178.1(5) . . . . ?
N1 C13 C32 C31 -1.2(10) . . . . ?
N1 C14 C15 N2 -179.4(6) . . . . ?
N1 C14 C15 C31 0.2(10) . . . . ?
N2 C15 C31 C32 -179.8(6) . . . . ?
N2 C16 C17 C18 178.3(7) . . . . ?
N2 C16 C21 C20 180.0(6) . . . . ?
N2 C16 C21 C22 -1.0(11) . . . . ?
N2 C26 C27 C28 179.3(7) . . . . ?
C1 P1 C7 C8 -151.3(5) . . . . ?
C1 P1 C7 C12 28.9(7) . . . . ?
C1 P1 C13 N1 79.7(5) . . . . ?
C1 P1 C13 C32 -103.2(6) . . . . ?
C1 C2 C3 C4 -0.5(13) . . . . ?
C2 C1 C6 C5 2.3(12) . . . . ?
C2 C3 C4 C5 -1.1(13) . . . . ?
C3 C4 C5 C6 3.4(14) . . . . ?
C4 C5 C6 C1 -4.0(13) . . . . ?
C6 C1 C2 C3 -0.1(11) . . . . ?
C7 P1 C1 C2 -90.4(7) . . . . ?
C7 P1 C1 C6 85.4(6) . . . . ?
C7 P1 C13 N1 -173.3(5) . . . . ?
C7 P1 C13 C32 3.8(7) . . . . ?
C7 C8 C9 C10 0.4(11) . . . . ?
C8 C7 C12 C11 -2.1(11) . . . . ?
C8 C9 C10 C11 -0.7(12) . . . . ?
C9 C10 C11 C12 -0.3(12) . . . . ?
C10 C11 C12 C7 1.8(12) . . . . ?
C12 C7 C8 C9 1.1(10) . . . . ?
C13 P1 C1 C2 17.8(7) . . . . ?
C13 P1 C1 C6 -166.4(6) . . . . ?
C13 P1 C7 C8 102.3(5) . . . . ?
C13 P1 C7 C12 -77.5(7) . . . . ?
C13 N1 C14 C15 -1.5(9) . . . . ?
C13 N1 C14 C33 180.0(6) . . . . ?
C14 N1 C13 P1 179.3(5) . . . . ?
C14 N1 C13 C32 2.0(10) . . . . ?
C14 C15 C31 C32 0.7(10) . . . . ?
C15 N2 C16 C17 9.1(10) . . . . ?
C15 N2 C16 C21 -170.3(6) . . . . ?
C15 N2 C26 C25 170.1(6) . . . . ?
C15 N2 C26 C27 -9.5(10) . . . . ?
C15 C31 C32 C13 -0.2(11) . . . . ?
C16 N2 C15 C14 88.0(8) . . . . ?
C16 N2 C15 C31 -91.6(8) . . . . ?
C16 N2 C26 C25 -2.5(10) . . . . ?
C16 N2 C26 C27 177.9(7) . . . . ?
C16 C17 C18 C19 2.9(13) . . . . ?
C16 C21 C22 C23 -120.1(8) . . . . ?
C16 C21 C22 C24 121.5(8) . . . . ?
C16 C21 C22 C25 -0.1(10) . . . . ?
C17 C16 C21 C20 0.6(11) . . . . ?
C17 C16 C21 C22 179.6(7) . . . . ?
C17 C18 C19 C20 -1.7(13) . . . . ?
C18 C19 C20 C21 0.0(13) . . . . ?
C19 C20 C21 C16 0.6(12) . . . . ?
C19 C20 C21 C22 -178.5(7) . . . . ?
C20 C21 C22 C23 58.9(9) . . . . ?
C20 C21 C22 C24 -59.5(9) . . . . ?
C20 C21 C22 C25 178.9(7) . . . . ?
C21 C16 C17 C18 -2.3(12) . . . . ?
C21 C22 C25 C26 -0.1(9) . . . . ?
C21 C22 C25 C30 -179.7(7) . . . . ?
C22 C25 C26 N2 1.4(10) . . . . ?
C22 C25 C26 C27 -179.1(7) . . . . ?
C22 C25 C30 C29 178.9(7) . . . . ?
C23 C22 C25 C26 119.8(8) . . . . ?
C23 C22 C25 C30 -59.8(9) . . . . ?
C24 C22 C25 C26 -120.0(8) . . . . ?
C24 C22 C25 C30 60.4(9) . . . . ?
C25 C26 C27 C28 -0.2(11) . . . . ?
C26 N2 C15 C14 -84.9(8) . . . . ?
C26 N2 C15 C31 95.5(8) . . . . ?
C26 N2 C16 C17 -178.3(7) . . . . ?
C26 N2 C16 C21 2.3(10) . . . . ?
C26 C25 C30 C29 -0.8(12) . . . . ?
C26 C27 C28 C29 0.1(13) . . . . ?
C27 C28 C29 C30 -0.2(13) . . . . ?
C28 C29 C30 C25 0.6(13) . . . . ?
C30 C25 C26 N2 -179.0(6) . . . . ?
C30 C25 C26 C27 0.5(10) . . . . ?
C33 C14 C15 N2 -1.0(10) . . . . ?
C33 C14 C15 C31 178.6(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
