#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:32:58 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179850 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/46/7014659.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7014659
loop_
_publ_author_name
'Min, Junhui'
'Zhang, Qisheng'
'Sun, Wei'
'Cheng, Yanxiang'
'Wang, Lixiang'
_publ_section_title
;
 Neutral copper(I) phosphorescent complexes from their ionic
 counterparts with 2-(2'-quinolyl)benzimidazole and phosphine mixed
 ligands.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              686
_journal_page_last               693
_journal_paper_doi               10.1039/c0dt01031f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C54 H46 B Cl4 Cu F4 N3 P2'
_chemical_formula_weight         1091.03
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.1480(10)
_cell_angle_beta                 97.9120(10)
_cell_angle_gamma                90.4040(10)
_cell_formula_units_Z            2
_cell_length_a                   10.7530(9)
_cell_length_b                   14.0616(11)
_cell_length_c                   17.4536(14)
_cell_measurement_temperature    186(2)
_cell_volume                     2543.4(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      186(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0507
_diffrn_reflns_av_sigmaI/netI    0.0906
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            14847
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    0.757
_exptl_absorpt_correction_T_max  0.9517
_exptl_absorpt_correction_T_min  0.7282
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            plate
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       yellow
_exptl_crystal_F_000             1118
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.576
_refine_diff_density_min         -0.563
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         9828
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0835
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1148
_refine_ls_wR_factor_ref         0.1247
_reflns_number_gt                6448
_reflns_number_total             9828
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01031F.TXT
_cod_data_source_block           q060
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7014659
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu 0.38894(4) 0.21836(3) 0.27757(2) 0.02769(13) Uani 1 1 d . . .
P1 P 0.32657(8) 0.23208(6) 0.15143(5) 0.0275(2) Uani 1 1 d . . .
P2 P 0.56239(8) 0.14043(6) 0.31573(5) 0.0267(2) Uani 1 1 d . . .
N1 N 0.2382(3) 0.1775(2) 0.32831(15) 0.0301(7) Uani 1 1 d . . .
N2 N 0.3623(3) 0.35209(19) 0.35920(15) 0.0308(7) Uani 1 1 d . . .
N3 N 0.1184(3) 0.2244(2) 0.42548(17) 0.0379(8) Uani 1 1 d . . .
C1 C 0.1679(3) 0.0963(3) 0.3339(2) 0.0321(8) Uani 1 1 d . . .
C2 C 0.1642(3) -0.0004(3) 0.2918(2) 0.0383(9) Uani 1 1 d . . .
H2 H 0.2144 -0.0211 0.2522 0.038 Uiso 1 1 calc R . .
C3 C 0.0827(4) -0.0643(3) 0.3113(2) 0.0460(10) Uani 1 1 d . . .
H3 H 0.0774 -0.1293 0.2834 0.046 Uiso 1 1 calc R . .
C4 C 0.0085(4) -0.0359(3) 0.3706(2) 0.0488(11) Uani 1 1 d . . .
H4 H -0.0448 -0.0820 0.3815 0.049 Uiso 1 1 calc R . .
C5 C 0.0119(3) 0.0578(3) 0.4132(2) 0.0466(11) Uani 1 1 d . . .
H5 H -0.0373 0.0768 0.4535 0.047 Uiso 1 1 calc R . .
C6 C 0.0923(3) 0.1250(3) 0.3943(2) 0.0350(9) Uani 1 1 d . . .
C7 C 0.2063(3) 0.2516(3) 0.38362(19) 0.0317(8) Uani 1 1 d . . .
C8 C 0.2649(3) 0.3488(3) 0.39758(19) 0.0337(9) Uani 1 1 d . . .
C9 C 0.2209(4) 0.4317(3) 0.4470(2) 0.0459(10) Uani 1 1 d . . .
H9 H 0.1506 0.4266 0.4717 0.046 Uiso 1 1 calc R . .
C10 C 0.2833(4) 0.5189(3) 0.4578(2) 0.0494(11) Uani 1 1 d . . .
H10 H 0.2551 0.5746 0.4896 0.049 Uiso 1 1 calc R . .
C11 C 0.3908(4) 0.5255(3) 0.4210(2) 0.0396(9) Uani 1 1 d . . .
C12 C 0.4639(4) 0.6126(3) 0.4320(2) 0.0503(11) Uani 1 1 d . . .
H12 H 0.4422 0.6692 0.4659 0.050 Uiso 1 1 calc R . .
C13 C 0.5649(4) 0.6152(3) 0.3942(2) 0.0529(11) Uani 1 1 d . . .
H13 H 0.6129 0.6729 0.4032 0.053 Uiso 1 1 calc R . .
C14 C 0.5979(4) 0.5309(3) 0.3413(2) 0.0464(10) Uani 1 1 d . . .
H14 H 0.6663 0.5333 0.3145 0.046 Uiso 1 1 calc R . .
C15 C 0.5294(3) 0.4461(3) 0.3297(2) 0.0400(9) Uani 1 1 d . . .
H15 H 0.5511 0.3907 0.2944 0.040 Uiso 1 1 calc R . .
C16 C 0.4268(3) 0.4405(2) 0.36989(19) 0.0327(8) Uani 1 1 d . . .
C17 C 0.2797(3) 0.1136(2) 0.08474(19) 0.0302(8) Uani 1 1 d . . .
C18 C 0.1859(3) 0.0592(3) 0.1036(2) 0.0388(9) Uani 1 1 d . . .
H18 H 0.1462 0.0855 0.1474 0.039 Uiso 1 1 calc R . .
C19 C 0.1498(4) -0.0335(3) 0.0587(2) 0.0527(11) Uani 1 1 d . . .
H19 H 0.0859 -0.0688 0.0721 0.053 Uiso 1 1 calc R . .
C20 C 0.2088(4) -0.0736(3) -0.0060(3) 0.0589(12) Uani 1 1 d . . .
H20 H 0.1850 -0.1360 -0.0362 0.059 Uiso 1 1 calc R . .
C21 C 0.3034(4) -0.0206(3) -0.0256(2) 0.0569(12) Uani 1 1 d . . .
H21 H 0.3434 -0.0475 -0.0691 0.057 Uiso 1 1 calc R . .
C22 C 0.3388(4) 0.0724(3) 0.0192(2) 0.0415(10) Uani 1 1 d . . .
H22 H 0.4024 0.1078 0.0056 0.042 Uiso 1 1 calc R . .
C23 C 0.4413(3) 0.2845(2) 0.10287(18) 0.0268(8) Uani 1 1 d . . .
C24 C 0.5679(3) 0.2797(3) 0.1304(2) 0.0348(9) Uani 1 1 d . . .
H24 H 0.5920 0.2491 0.1718 0.035 Uiso 1 1 calc R . .
C25 C 0.6580(3) 0.3196(3) 0.0973(2) 0.0428(10) Uani 1 1 d . . .
H25 H 0.7424 0.3169 0.1172 0.043 Uiso 1 1 calc R . .
C26 C 0.6256(4) 0.3631(3) 0.0359(2) 0.0417(10) Uani 1 1 d . . .
H26 H 0.6874 0.3892 0.0133 0.042 Uiso 1 1 calc R . .
C27 C 0.4999(4) 0.3684(3) 0.0071(2) 0.0419(10) Uani 1 1 d . . .
H27 H 0.4768 0.3983 -0.0348 0.042 Uiso 1 1 calc R . .
C28 C 0.4089(3) 0.3290(3) 0.0409(2) 0.0348(9) Uani 1 1 d . . .
H28 H 0.3245 0.3327 0.0215 0.035 Uiso 1 1 calc R . .
C29 C 0.1877(3) 0.3031(2) 0.13501(19) 0.0295(8) Uani 1 1 d . . .
C30 C 0.1721(3) 0.3877(2) 0.1914(2) 0.0349(9) Uani 1 1 d . . .
H30 H 0.2309 0.4058 0.2370 0.035 Uiso 1 1 calc R . .
C31 C 0.0700(4) 0.4457(3) 0.1807(2) 0.0462(10) Uani 1 1 d . . .
H31 H 0.0600 0.5020 0.2190 0.046 Uiso 1 1 calc R . .
C32 C -0.0160(4) 0.4190(3) 0.1130(3) 0.0517(11) Uani 1 1 d . . .
H32 H -0.0844 0.4575 0.1050 0.052 Uiso 1 1 calc R . .
C33 C -0.0013(4) 0.3359(3) 0.0574(3) 0.0541(11) Uani 1 1 d . . .
H33 H -0.0592 0.3185 0.0113 0.054 Uiso 1 1 calc R . .
C34 C 0.0987(3) 0.2775(3) 0.0689(2) 0.0436(10) Uani 1 1 d . . .
H34 H 0.1058 0.2199 0.0314 0.044 Uiso 1 1 calc R . .
C35 C 0.5562(3) 0.0097(2) 0.27255(19) 0.0286(8) Uani 1 1 d . . .
C36 C 0.6305(4) -0.0544(3) 0.3069(2) 0.0379(9) Uani 1 1 d . . .
H36 H 0.6833 -0.0306 0.3544 0.038 Uiso 1 1 calc R . .
C37 C 0.6270(4) -0.1526(3) 0.2714(2) 0.0518(11) Uani 1 1 d . . .
H37 H 0.6764 -0.1949 0.2953 0.052 Uiso 1 1 calc R . .
C38 C 0.5499(4) -0.1882(3) 0.2001(3) 0.0550(12) Uani 1 1 d . . .
H38 H 0.5474 -0.2545 0.1760 0.055 Uiso 1 1 calc R . .
C39 C 0.4774(4) -0.1260(3) 0.1652(2) 0.0524(11) Uani 1 1 d . . .
H39 H 0.4262 -0.1499 0.1170 0.052 Uiso 1 1 calc R . .
C40 C 0.4800(3) -0.0274(3) 0.2013(2) 0.0397(9) Uani 1 1 d . . .
H40 H 0.4298 0.0143 0.1773 0.040 Uiso 1 1 calc R . .
C41 C 0.7141(3) 0.1798(2) 0.29571(19) 0.0293(8) Uani 1 1 d . . .
C42 C 0.7816(3) 0.1199(3) 0.2427(2) 0.0389(9) Uani 1 1 d . . .
H42 H 0.7533 0.0557 0.2204 0.039 Uiso 1 1 calc R . .
C43 C 0.8907(4) 0.1549(4) 0.2228(2) 0.0559(12) Uani 1 1 d . . .
H43 H 0.9354 0.1137 0.1878 0.056 Uiso 1 1 calc R . .
C44 C 0.9329(4) 0.2488(4) 0.2540(3) 0.0603(13) Uani 1 1 d . . .
H44 H 1.0054 0.2720 0.2395 0.060 Uiso 1 1 calc R . .
C45 C 0.8681(4) 0.3098(3) 0.3071(3) 0.0589(13) Uani 1 1 d . . .
H45 H 0.8973 0.3740 0.3290 0.059 Uiso 1 1 calc R . .
C46 C 0.7591(4) 0.2751(3) 0.3277(2) 0.0440(10) Uani 1 1 d . . .
H46 H 0.7157 0.3165 0.3635 0.044 Uiso 1 1 calc R . .
C47 C 0.5872(3) 0.1445(2) 0.42275(19) 0.0291(8) Uani 1 1 d . . .
C48 C 0.4843(3) 0.1235(2) 0.4562(2) 0.0331(9) Uani 1 1 d . . .
H48 H 0.4060 0.1106 0.4250 0.033 Uiso 1 1 calc R . .
C49 C 0.4961(4) 0.1216(3) 0.5350(2) 0.0405(10) Uani 1 1 d . . .
H49 H 0.4259 0.1072 0.5566 0.041 Uiso 1 1 calc R . .
C50 C 0.6108(4) 0.1407(3) 0.5823(2) 0.0434(10) Uani 1 1 d . . .
H50 H 0.6186 0.1377 0.6354 0.043 Uiso 1 1 calc R . .
C51 C 0.7139(4) 0.1643(3) 0.5507(2) 0.0474(10) Uani 1 1 d . . .
H51 H 0.7910 0.1794 0.5829 0.047 Uiso 1 1 calc R . .
C52 C 0.7035(4) 0.1658(3) 0.4713(2) 0.0411(10) Uani 1 1 d . . .
H52 H 0.7738 0.1809 0.4500 0.041 Uiso 1 1 calc R . .
B B 1.0257(5) 0.3462(4) 0.6150(3) 0.0546(14) Uani 1 1 d . . .
F1 F 1.0764(3) 0.4358(2) 0.6354(2) 0.1271(14) Uani 1 1 d . . .
F2 F 1.1181(4) 0.2812(3) 0.62175(19) 0.1179(12) Uani 1 1 d . . .
F3 F 0.9738(3) 0.3268(2) 0.53529(14) 0.0883(9) Uani 1 1 d . . .
F4 F 0.9368(3) 0.3384(2) 0.66060(15) 0.1042(12) Uani 1 1 d . . .
C53 C 0.3067(5) 0.6528(4) 0.2272(3) 0.0770(16) Uani 1 1 d . . .
H53A H 0.2569 0.6237 0.2589 0.077 Uiso 1 1 calc R . .
H53B H 0.3691 0.6977 0.2633 0.077 Uiso 1 1 calc R . .
Cl1 Cl 0.20989(14) 0.71690(12) 0.17031(10) 0.1016(5) Uani 1 1 d . . .
Cl2 Cl 0.38276(13) 0.56075(9) 0.16707(8) 0.0762(4) Uani 1 1 d . . .
C54 C 0.8775(6) -0.2958(5) 0.1873(4) 0.134(3) Uani 1 1 d . . .
H54A H 0.9568 -0.3257 0.1784 0.134 Uiso 1 1 calc R . .
H54B H 0.8817 -0.2686 0.2440 0.134 Uiso 1 1 calc R . .
Cl3 Cl 0.85852(16) -0.20060(15) 0.13744(9) 0.1215(7) Uani 1 1 d . . .
Cl4 Cl 0.75803(14) -0.38551(12) 0.15769(11) 0.1132(6) Uani 1 1 d . . .
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'
B B 0.0013 0.0007 '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'
F F 0.0171 0.0103 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 Cu N2 79.31(11) . . ?
N1 Cu P1 111.23(8) . . ?
N2 Cu P1 109.97(8) . . ?
N1 Cu P2 109.49(8) . . ?
N2 Cu P2 113.68(8) . . ?
P1 Cu P2 124.24(3) . . ?
C17 P1 C23 104.46(14) . . ?
C17 P1 C29 102.03(16) . . ?
C23 P1 C29 102.94(15) . . ?
C17 P1 Cu 111.73(11) . . ?
C23 P1 Cu 117.09(11) . . ?
C29 P1 Cu 116.80(11) . . ?
C41 P2 C35 102.64(15) . . ?
C41 P2 C47 104.27(15) . . ?
C35 P2 C47 101.94(15) . . ?
C41 P2 Cu 118.60(11) . . ?
C35 P2 Cu 114.40(12) . . ?
C47 P2 Cu 113.06(11) . . ?
C7 N1 C1 105.6(3) . . ?
C7 N1 Cu 111.0(2) . . ?
C1 N1 Cu 142.6(2) . . ?
C8 N2 C16 118.5(3) . . ?
C8 N2 Cu 113.8(2) . . ?
C16 N2 Cu 127.3(2) . . ?
C7 N3 C6 106.3(3) . . ?
C2 C1 N1 130.9(3) . . ?
C2 C1 C6 120.1(3) . . ?
N1 C1 C6 109.0(3) . . ?
C3 C2 C1 116.9(3) . . ?
C2 C3 C4 122.8(4) . . ?
C5 C4 C3 121.2(4) . . ?
C4 C5 C6 117.5(4) . . ?
N3 C6 C5 132.2(3) . . ?
N3 C6 C1 106.4(3) . . ?
C5 C6 C1 121.4(4) . . ?
N1 C7 N3 112.7(3) . . ?
N1 C7 C8 121.5(3) . . ?
N3 C7 C8 125.8(3) . . ?
N2 C8 C9 123.4(3) . . ?
N2 C8 C7 113.8(3) . . ?
C9 C8 C7 122.8(3) . . ?
C10 C9 C8 118.6(4) . . ?
C9 C10 C11 120.2(3) . . ?
C12 C11 C16 118.2(4) . . ?
C12 C11 C10 123.6(3) . . ?
C16 C11 C10 118.2(3) . . ?
C13 C12 C11 121.2(4) . . ?
C12 C13 C14 120.3(4) . . ?
C15 C14 C13 119.7(4) . . ?
C14 C15 C16 121.2(4) . . ?
N2 C16 C15 119.7(3) . . ?
N2 C16 C11 121.0(3) . . ?
C15 C16 C11 119.3(3) . . ?
C18 C17 C22 118.4(3) . . ?
C18 C17 P1 117.6(3) . . ?
C22 C17 P1 123.8(3) . . ?
C17 C18 C19 121.2(4) . . ?
C20 C19 C18 119.9(4) . . ?
C21 C20 C19 119.8(4) . . ?
C20 C21 C22 120.2(4) . . ?
C21 C22 C17 120.5(4) . . ?
C28 C23 C24 118.2(3) . . ?
C28 C23 P1 123.6(3) . . ?
C24 C23 P1 118.2(3) . . ?
C25 C24 C23 120.7(3) . . ?
C26 C25 C24 120.9(4) . . ?
C25 C26 C27 119.5(3) . . ?
C28 C27 C26 119.7(3) . . ?
C23 C28 C27 121.0(3) . . ?
C34 C29 C30 118.2(3) . . ?
C34 C29 P1 123.1(3) . . ?
C30 C29 P1 118.7(3) . . ?
C31 C30 C29 121.0(3) . . ?
C32 C31 C30 119.3(4) . . ?
C33 C32 C31 120.0(4) . . ?
C32 C33 C34 120.5(4) . . ?
C29 C34 C33 120.9(4) . . ?
C40 C35 C36 118.3(3) . . ?
C40 C35 P2 119.4(3) . . ?
C36 C35 P2 122.2(3) . . ?
C37 C36 C35 120.9(4) . . ?
C36 C37 C38 119.8(4) . . ?
C39 C38 C37 120.0(4) . . ?
C38 C39 C40 120.2(4) . . ?
C35 C40 C39 120.8(4) . . ?
C46 C41 C42 117.9(3) . . ?
C46 C41 P2 119.8(3) . . ?
C42 C41 P2 122.0(3) . . ?
C43 C42 C41 120.8(4) . . ?
C44 C43 C42 120.6(4) . . ?
C43 C44 C45 119.9(4) . . ?
C44 C45 C46 119.8(4) . . ?
C41 C46 C45 121.0(4) . . ?
C48 C47 C52 118.7(3) . . ?
C48 C47 P2 117.3(3) . . ?
C52 C47 P2 124.1(3) . . ?
C49 C48 C47 120.7(3) . . ?
C48 C49 C50 120.6(4) . . ?
C49 C50 C51 119.6(3) . . ?
C52 C51 C50 120.4(4) . . ?
C51 C52 C47 120.0(4) . . ?
F1 B F4 109.7(4) . . ?
F1 B F2 109.1(5) . . ?
F4 B F2 111.9(5) . . ?
F1 B F3 108.6(5) . . ?
F4 B F3 110.4(4) . . ?
F2 B F3 107.0(4) . . ?
Cl1 C53 Cl2 111.3(2) . . ?
Cl4 C54 Cl3 113.8(3) . . ?
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
Cu N1 2.087(3) . ?
Cu N2 2.133(3) . ?
Cu P1 2.2633(10) . ?
Cu P2 2.2676(10) . ?
P1 C17 1.824(3) . ?
P1 C23 1.828(3) . ?
P1 C29 1.828(4) . ?
P2 C41 1.822(3) . ?
P2 C35 1.819(3) . ?
P2 C47 1.838(3) . ?
N1 C7 1.332(4) . ?
N1 C1 1.393(4) . ?
N2 C8 1.324(4) . ?
N2 C16 1.382(4) . ?
N3 C7 1.374(4) . ?
N3 C6 1.391(4) . ?
C1 C2 1.389(5) . ?
C1 C6 1.407(4) . ?
C2 C3 1.380(5) . ?
C3 C4 1.382(5) . ?
C4 C5 1.356(5) . ?
C5 C6 1.399(5) . ?
C7 C8 1.455(5) . ?
C8 C9 1.411(5) . ?
C9 C10 1.356(5) . ?
C10 C11 1.410(5) . ?
C11 C12 1.411(5) . ?
C11 C16 1.411(5) . ?
C12 C13 1.350(5) . ?
C13 C14 1.408(5) . ?
C14 C15 1.357(5) . ?
C15 C16 1.397(5) . ?
C17 C18 1.381(4) . ?
C17 C22 1.397(5) . ?
C18 C19 1.381(5) . ?
C19 C20 1.382(6) . ?
C20 C21 1.382(6) . ?
C21 C22 1.383(5) . ?
C23 C28 1.374(5) . ?
C23 C24 1.388(5) . ?
C24 C25 1.372(4) . ?
C25 C26 1.358(5) . ?
C26 C27 1.384(5) . ?
C27 C28 1.384(5) . ?
C29 C34 1.371(5) . ?
C29 C30 1.388(4) . ?
C30 C31 1.390(5) . ?
C31 C32 1.373(5) . ?
C32 C33 1.364(5) . ?
C33 C34 1.378(5) . ?
C35 C40 1.381(5) . ?
C35 C36 1.390(5) . ?
C36 C37 1.377(5) . ?
C37 C38 1.383(6) . ?
C38 C39 1.366(6) . ?
C39 C40 1.384(5) . ?
C41 C46 1.386(5) . ?
C41 C42 1.389(5) . ?
C42 C43 1.386(5) . ?
C43 C44 1.357(6) . ?
C44 C45 1.380(6) . ?
C45 C46 1.389(5) . ?
C47 C48 1.380(4) . ?
C47 C52 1.400(5) . ?
C48 C49 1.370(5) . ?
C49 C50 1.375(5) . ?
C50 C51 1.375(5) . ?
C51 C52 1.379(5) . ?
B F1 1.320(5) . ?
B F4 1.345(5) . ?
B F2 1.365(6) . ?
B F3 1.390(6) . ?
C53 Cl1 1.737(5) . ?
C53 Cl2 1.755(5) . ?
C54 Cl4 1.733(6) . ?
C54 Cl3 1.755(7) . ?
