#------------------------------------------------------------------------------
#$Date: 2020-10-06 13:27:41 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257832 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/98/7059800.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_7059800
loop_
_publ_author_name
'Jin, Xin-Xin'
'Li, Tian'
'Shi, Dong-Po'
'Luo, Li-Juan'
'Su, Qian-Qian'
'Xiang, Jing'
'Xu, Hai-Bing'
'Leung, Chi-Fai'
'Zeng, Ming-Hua'
_publ_section_title
;
 Luminescent phosphine copper(i) complexes with various functionalized
 bipyridine ligands: synthesis, structures, photophysics and computational
 study
;
_journal_issue                   31
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              13393
_journal_page_last               13400
_journal_paper_doi               10.1039/C9NJ05887G
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C48 H34 Cl Cu N4 O5 P2'
_chemical_formula_weight         907.72
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-07-29 deposited with the CCDC.	2020-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.061(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   25.2095(6)
_cell_length_b                   11.1731(3)
_cell_length_c                   31.1132(7)
_cell_measurement_reflns_used    7909
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.4310
_cell_measurement_theta_min      3.4770
_cell_volume                     8763.6(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.1281
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_unetI/netI     0.0409
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            27379
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        67.244
_diffrn_reflns_theta_max         67.244
_diffrn_reflns_theta_min         3.506
_diffrn_source                   'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.375
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.53049
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            WHITE
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             3728
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_refine_diff_density_max         2.777
_refine_diff_density_min         -1.213
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         7864
_refine_ls_number_restraints     1896
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1061
_refine_ls_R_factor_gt           0.0859
_refine_ls_shift/su_max          0.083
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1746P)²+25.5676P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2555
_refine_ls_wR_factor_ref         0.2785
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5806
_reflns_number_total             7864
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9nj05887g2.cif
_cod_data_source_block           exp_7384
_cod_depositor_comments
;Adding full bibliography for 7059798--7059800.cif.

 Adding full bibliography for 7059798--7059800.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7059800
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.764
_shelx_estimated_absorpt_t_max   0.780
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'
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
Cu1 Cu 0.12849(3) -0.00553(6) 0.14008(2) 0.0433(3) Uani 1 1 d . U . . .
N1 N 0.13000(18) -0.1770(4) 0.16935(14) 0.0504(9) Uani 1 1 d . U . . .
N2 N 0.09785(18) 0.0324(4) 0.20170(14) 0.0484(9) Uani 1 1 d . U . . .
N3 N 0.1999(3) -0.2866(5) 0.0834(2) 0.0869(17) Uani 1 1 d . U . . .
N4 N 0.1033(3) 0.3229(5) 0.1717(2) 0.0797(15) Uani 1 1 d . U . . .
O1 O 0.17425(14) -0.0369(3) 0.04638(11) 0.0503(7) Uani 1 1 d . U . . .
O2 O 0.4269(5) 0.0783(17) 0.1145(5) 0.124(3) Uani 0.566(9) 1 d . U P A 1
O3 O 0.4297(8) 0.0136(18) 0.1873(6) 0.149(4) Uani 0.566(9) 1 d . U P A 1
O4 O 0.4716(5) 0.1581(16) 0.1806(4) 0.125(3) Uani 0.566(9) 1 d . U P A 1
O5 O 0.3859(5) 0.1218(15) 0.1837(5) 0.117(3) Uani 0.566(9) 1 d . U P A 1
O2' O 0.4347(8) 0.0182(18) 0.1312(7) 0.113(3) Uani 0.434(9) 1 d . U P A 2
O3' O 0.3876(8) 0.052(2) 0.1828(6) 0.111(3) Uani 0.434(9) 1 d . U P A 2
O4' O 0.4797(7) 0.071(2) 0.1735(7) 0.133(4) Uani 0.434(9) 1 d . U P A 2
O5' O 0.4237(7) 0.2259(19) 0.1589(6) 0.132(3) Uani 0.434(9) 1 d . U P A 2
P1 P 0.21404(5) 0.05514(11) 0.13215(4) 0.0418(3) Uani 1 1 d . U . . .
P2 P 0.07181(5) -0.00201(12) 0.08394(4) 0.0446(3) Uani 1 1 d . U . . .
Cl1 Cl 0.43195(10) 0.1008(4) 0.16064(12) 0.1422(13) Uani 1 1 d . U . . .
C1 C 0.1755(3) -0.2790(5) 0.1132(2) 0.0619(11) Uani 1 1 d . U . . .
C2 C 0.1443(2) -0.2818(5) 0.15211(19) 0.0569(11) Uani 1 1 d . U . . .
C3 C 0.1324(3) -0.3909(6) 0.1691(2) 0.0686(13) Uani 1 1 d . U . . .
H3 H 0.1440 -0.4610 0.1560 0.082 Uiso 1 1 calc R U . . .
C4 C 0.1025(3) -0.3942(6) 0.2065(2) 0.0751(14) Uani 1 1 d . U . . .
H4 H 0.0920 -0.4669 0.2183 0.090 Uiso 1 1 calc R U . . .
C5 C 0.0889(3) -0.2881(6) 0.2257(2) 0.0689(13) Uani 1 1 d . U . . .
H5 H 0.0699 -0.2880 0.2513 0.083 Uiso 1 1 calc R U . . .
C6 C 0.1034(2) -0.1815(5) 0.20674(18) 0.0549(11) Uani 1 1 d . U . . .
C7 C 0.0903(2) -0.0664(5) 0.22642(18) 0.0546(11) Uani 1 1 d . U . . .
C8 C 0.0718(3) -0.0571(6) 0.2685(2) 0.0657(13) Uani 1 1 d . U . . .
H8 H 0.0673 -0.1256 0.2852 0.079 Uiso 1 1 calc R U . . .
C9 C 0.0602(3) 0.0545(7) 0.2855(2) 0.0724(14) Uani 1 1 d . U . . .
H9 H 0.0470 0.0613 0.3132 0.087 Uiso 1 1 calc R U . . .
C10 C 0.0684(3) 0.1545(6) 0.2610(2) 0.0699(14) Uani 1 1 d . U . . .
H10 H 0.0617 0.2306 0.2719 0.084 Uiso 1 1 calc R U . . .
C11 C 0.0869(2) 0.1387(5) 0.21936(18) 0.0555(11) Uani 1 1 d . U . . .
C12 C 0.0964(2) 0.2412(6) 0.1924(2) 0.0591(12) Uani 1 1 d . U . . .
C13 C 0.2472(2) -0.0004(5) 0.18035(19) 0.0548(11) Uani 1 1 d . U . . .
C14 C 0.2735(3) -0.1089(6) 0.1817(2) 0.0643(12) Uani 1 1 d . U . . .
H14 H 0.2788 -0.1522 0.1566 0.077 Uiso 1 1 calc R U . . .
C15 C 0.2920(3) -0.1532(7) 0.2205(2) 0.0806(16) Uani 1 1 d . U . . .
H15 H 0.3102 -0.2256 0.2212 0.097 Uiso 1 1 calc R U . . .
C16 C 0.2837(3) -0.0922(8) 0.2572(2) 0.0817(16) Uani 1 1 d . U . . .
H16 H 0.2957 -0.1234 0.2832 0.098 Uiso 1 1 calc R U . . .
C17 C 0.2578(3) 0.0152(7) 0.2566(3) 0.0817(16) Uani 1 1 d . U . . .
H17 H 0.2527 0.0572 0.2820 0.098 Uiso 1 1 calc R U . . .
C18 C 0.2394(3) 0.0613(6) 0.21848(19) 0.0647(12) Uani 1 1 d . U . . .
H18 H 0.2216 0.1342 0.2183 0.078 Uiso 1 1 calc R U . . .
C19 C 0.2326(2) 0.2143(5) 0.12851(17) 0.0515(10) Uani 1 1 d . U . . .
C20 C 0.2796(2) 0.2579(6) 0.1454(2) 0.0608(11) Uani 1 1 d . U . . .
H20 H 0.3014 0.2084 0.1617 0.073 Uiso 1 1 calc R U . . .
C21 C 0.2937(3) 0.3752(6) 0.1378(2) 0.0724(15) Uani 1 1 d . U . . .
H21 H 0.3250 0.4054 0.1495 0.087 Uiso 1 1 calc R U . . .
C22 C 0.2618(3) 0.4477(6) 0.1131(2) 0.0717(14) Uani 1 1 d . U . . .
H22 H 0.2718 0.5265 0.1079 0.086 Uiso 1 1 calc R U . . .
C23 C 0.2160(3) 0.4050(6) 0.0963(2) 0.0684(14) Uani 1 1 d . U . . .
H23 H 0.1948 0.4547 0.0796 0.082 Uiso 1 1 calc R U . . .
C24 C 0.2006(2) 0.2891(5) 0.10385(19) 0.0561(11) Uani 1 1 d . U . . .
H24 H 0.1689 0.2607 0.0925 0.067 Uiso 1 1 calc R U . . .
C25 C 0.2537(2) -0.0037(5) 0.08747(18) 0.0487(9) Uani 1 1 d . U . . .
C26 C 0.3083(2) -0.0089(5) 0.0899(2) 0.0579(11) Uani 1 1 d . U . . .
H26 H 0.3254 0.0175 0.1146 0.070 Uiso 1 1 calc R U . . .
C27 C 0.3378(3) -0.0530(6) 0.0560(2) 0.0639(13) Uani 1 1 d . U . . .
H27 H 0.3746 -0.0554 0.0580 0.077 Uiso 1 1 calc R U . . .
C28 C 0.3130(2) -0.0934(6) 0.0192(2) 0.0624(13) Uani 1 1 d . U . . .
H28 H 0.3329 -0.1243 -0.0034 0.075 Uiso 1 1 calc R U . . .
C29 C 0.2584(2) -0.0877(5) 0.01607(19) 0.0571(11) Uani 1 1 d . U . . .
H29 H 0.2413 -0.1153 -0.0085 0.069 Uiso 1 1 calc R U . . .
C30 C 0.2293(2) -0.0410(5) 0.04959(17) 0.0500(10) Uani 1 1 d . U . . .
C31 C 0.0991(2) 0.0849(5) 0.03948(16) 0.0490(10) Uani 1 1 d . U . . .
C32 C 0.1515(2) 0.0620(5) 0.02711(17) 0.0483(9) Uani 1 1 d . U . . .
C33 C 0.1774(2) 0.1318(5) -0.00261(18) 0.0572(11) Uani 1 1 d . U . . .
H33 H 0.2125 0.1164 -0.0099 0.069 Uiso 1 1 calc R U . . .
C34 C 0.1497(3) 0.2269(6) -0.0218(2) 0.0648(13) Uani 1 1 d . U . . .
H34 H 0.1667 0.2762 -0.0415 0.078 Uiso 1 1 calc R U . . .
C35 C 0.0975(3) 0.2476(6) -0.0115(2) 0.0655(14) Uani 1 1 d . U . . .
H35 H 0.0790 0.3084 -0.0254 0.079 Uiso 1 1 calc R U . . .
C36 C 0.0724(2) 0.1797(5) 0.01894(18) 0.0559(11) Uani 1 1 d . U . . .
H36 H 0.0373 0.1964 0.0261 0.067 Uiso 1 1 calc R U . . .
C37 C 0.0589(2) -0.1517(5) 0.06229(18) 0.0531(10) Uani 1 1 d . U . . .
C38 C 0.0667(2) -0.1787(6) 0.01899(19) 0.0578(11) Uani 1 1 d . U . . .
H38 H 0.0768 -0.1191 -0.0002 0.069 Uiso 1 1 calc R U . . .
C39 C 0.0591(2) -0.2951(6) 0.0048(2) 0.0660(14) Uani 1 1 d . U . . .
H39 H 0.0636 -0.3131 -0.0242 0.079 Uiso 1 1 calc R U . . .
C40 C 0.0455(3) -0.3822(7) 0.0324(2) 0.0731(15) Uani 1 1 d . U . . .
H40 H 0.0415 -0.4603 0.0225 0.088 Uiso 1 1 calc R U . . .
C41 C 0.0373(3) -0.3564(6) 0.0750(2) 0.0720(14) Uani 1 1 d . U . . .
H41 H 0.0276 -0.4170 0.0939 0.086 Uiso 1 1 calc R U . . .
C42 C 0.0436(2) -0.2404(6) 0.0900(2) 0.0623(11) Uani 1 1 d . U . . .
H42 H 0.0375 -0.2229 0.1188 0.075 Uiso 1 1 calc R U . . .
C43 C 0.0058(2) 0.0629(6) 0.09215(17) 0.0545(11) Uani 1 1 d . U . . .
C44 C -0.0403(2) -0.0003(6) 0.0834(2) 0.0623(12) Uani 1 1 d . U . . .
H44 H -0.0385 -0.0782 0.0729 0.075 Uiso 1 1 calc R U . . .
C45 C -0.0900(3) 0.0548(8) 0.0905(2) 0.0767(15) Uani 1 1 d . U . . .
H45 H -0.1210 0.0135 0.0839 0.092 Uiso 1 1 calc R U . . .
C46 C -0.0929(3) 0.1646(8) 0.1066(2) 0.0768(15) Uani 1 1 d . U . . .
H46 H -0.1259 0.1989 0.1115 0.092 Uiso 1 1 calc R U . . .
C47 C -0.0475(3) 0.2288(7) 0.1161(2) 0.0774(15) Uani 1 1 d . U . . .
H47 H -0.0499 0.3060 0.1271 0.093 Uiso 1 1 calc R U . . .
C48 C 0.0021(3) 0.1759(6) 0.1089(2) 0.0648(12) Uani 1 1 d . U . . .
H48 H 0.0328 0.2180 0.1156 0.078 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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
N2 Cu1 N1 78.32(17) . . ?
N2 Cu1 P2 117.89(13) . . ?
N1 Cu1 P2 111.05(13) . . ?
N2 Cu1 P1 112.75(13) . . ?
N1 Cu1 P1 107.40(13) . . ?
P2 Cu1 P1 120.71(5) . . ?
C2 N1 C6 116.7(5) . . ?
C2 N1 Cu1 128.5(4) . . ?
C6 N1 Cu1 113.3(4) . . ?
C11 N2 C7 117.4(5) . . ?
C11 N2 Cu1 128.8(4) . . ?
C7 N2 Cu1 113.8(4) . . ?
C32 O1 C30 118.1(4) . . ?
C13 P1 C25 104.6(3) . . ?
C13 P1 C19 105.3(3) . . ?
C25 P1 C19 99.2(2) . . ?
C13 P1 Cu1 104.05(19) . . ?
C25 P1 Cu1 119.53(19) . . ?
C19 P1 Cu1 122.34(18) . . ?
C31 P2 C37 105.9(3) . . ?
C31 P2 C43 103.8(3) . . ?
C37 P2 C43 104.6(3) . . ?
C31 P2 Cu1 110.91(17) . . ?
C37 P2 Cu1 112.39(18) . . ?
C43 P2 Cu1 118.25(19) . . ?
O3 Cl1 O4 95.6(12) . . ?
O2' Cl1 O4' 89.1(15) . . ?
O3 Cl1 O5 75.9(11) . . ?
O4 Cl1 O5 107.7(9) . . ?
O2' Cl1 O5' 132.9(14) . . ?
O4' Cl1 O5' 113.5(13) . . ?
O3 Cl1 O2 120.0(11) . . ?
O4 Cl1 O2 127.0(8) . . ?
O5 Cl1 O2 117.7(9) . . ?
O2' Cl1 O3' 96.2(13) . . ?
O4' Cl1 O3' 118.3(14) . . ?
O5' Cl1 O3' 106.6(12) . . ?
N3 C1 C2 174.4(7) . . ?
N1 C2 C3 124.6(6) . . ?
N1 C2 C1 117.7(5) . . ?
C3 C2 C1 117.7(6) . . ?
C2 C3 C4 118.0(6) . . ?
C5 C4 C3 118.6(6) . . ?
C4 C5 C6 119.6(6) . . ?
N1 C6 C5 122.3(5) . . ?
N1 C6 C7 116.3(5) . . ?
C5 C6 C7 121.4(5) . . ?
N2 C7 C8 121.2(5) . . ?
N2 C7 C6 116.5(5) . . ?
C8 C7 C6 122.3(5) . . ?
C9 C8 C7 119.6(6) . . ?
C10 C9 C8 119.5(6) . . ?
C9 C10 C11 117.7(6) . . ?
N2 C11 C10 124.4(6) . . ?
N2 C11 C12 115.7(5) . . ?
C10 C11 C12 119.9(5) . . ?
N4 C12 C11 178.8(7) . . ?
C14 C13 C18 118.5(6) . . ?
C14 C13 P1 122.9(5) . . ?
C18 C13 P1 117.9(5) . . ?
C13 C14 C15 120.1(7) . . ?
C16 C15 C14 120.4(7) . . ?
C15 C16 C17 120.5(7) . . ?
C16 C17 C18 120.2(8) . . ?
C17 C18 C13 120.2(7) . . ?
C20 C19 C24 119.5(5) . . ?
C20 C19 P1 122.2(4) . . ?
C24 C19 P1 117.9(4) . . ?
C21 C20 C19 119.4(6) . . ?
C20 C21 C22 120.2(7) . . ?
C23 C22 C21 120.4(6) . . ?
C22 C23 C24 120.5(6) . . ?
C23 C24 C19 119.8(6) . . ?
C26 C25 C30 118.2(5) . . ?
C26 C25 P1 121.2(5) . . ?
C30 C25 P1 120.5(4) . . ?
C25 C26 C27 120.8(6) . . ?
C28 C27 C26 120.3(6) . . ?
C29 C28 C27 119.6(5) . . ?
C28 C29 C30 119.7(6) . . ?
C29 C30 O1 119.3(5) . . ?
C29 C30 C25 121.3(5) . . ?
O1 C30 C25 119.4(5) . . ?
C32 C31 C36 117.6(5) . . ?
C32 C31 P2 117.9(4) . . ?
C36 C31 P2 124.3(4) . . ?
C33 C32 O1 123.3(5) . . ?
C33 C32 C31 122.0(5) . . ?
O1 C32 C31 114.7(4) . . ?
C32 C33 C34 118.6(5) . . ?
C35 C34 C33 120.3(6) . . ?
C36 C35 C34 120.7(6) . . ?
C35 C36 C31 120.6(5) . . ?
C42 C37 C38 119.4(6) . . ?
C42 C37 P2 118.7(4) . . ?
C38 C37 P2 121.8(5) . . ?
C39 C38 C37 119.4(6) . . ?
C40 C39 C38 120.8(6) . . ?
C39 C40 C41 120.3(7) . . ?
C40 C41 C42 120.3(7) . . ?
C37 C42 C41 119.8(6) . . ?
C48 C43 C44 119.3(6) . . ?
C48 C43 P2 118.6(5) . . ?
C44 C43 P2 122.1(5) . . ?
C43 C44 C45 119.3(7) . . ?
C46 C45 C44 120.8(7) . . ?
C45 C46 C47 121.0(7) . . ?
C46 C47 C48 119.0(7) . . ?
C43 C48 C47 120.7(7) . . ?
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
Cu1 N2 2.111(4) . ?
Cu1 N1 2.122(4) . ?
Cu1 P2 2.2560(15) . ?
Cu1 P1 2.2744(14) . ?
N1 C2 1.338(7) . ?
N1 C6 1.345(7) . ?
N2 C11 1.338(7) . ?
N2 C7 1.358(7) . ?
N3 C1 1.118(8) . ?
N4 C12 1.131(8) . ?
O1 C32 1.381(6) . ?
O1 C30 1.392(6) . ?
O2 Cl1 1.464(14) . ?
O3 Cl1 1.28(2) . ?
O4 Cl1 1.339(12) . ?
O5 Cl1 1.385(14) . ?
O2' Cl1 1.303(17) . ?
O3' Cl1 1.42(2) . ?
O4' Cl1 1.311(19) . ?
O5' Cl1 1.41(2) . ?
P1 C13 1.825(6) . ?
P1 C25 1.835(6) . ?
P1 C19 1.843(6) . ?
P2 C31 1.825(5) . ?
P2 C37 1.832(6) . ?
P2 C43 1.834(6) . ?
C1 C2 1.444(9) . ?
C2 C3 1.362(9) . ?
C3 C4 1.387(9) . ?
C4 C5 1.372(10) . ?
C5 C6 1.378(8) . ?
C6 C7 1.462(8) . ?
C7 C8 1.395(8) . ?
C8 C9 1.385(10) . ?
C9 C10 1.367(10) . ?
C10 C11 1.390(8) . ?
C11 C12 1.439(9) . ?
C13 C14 1.382(9) . ?
C13 C18 1.387(9) . ?
C14 C15 1.384(9) . ?
C15 C16 1.347(11) . ?
C16 C17 1.365(11) . ?
C17 C18 1.374(9) . ?
C19 C20 1.384(8) . ?
C19 C24 1.391(8) . ?
C20 C21 1.378(9) . ?
C21 C22 1.377(10) . ?
C22 C23 1.353(10) . ?
C23 C24 1.372(9) . ?
C25 C26 1.379(8) . ?
C25 C30 1.393(8) . ?
C26 C27 1.383(9) . ?
C27 C28 1.381(9) . ?
C28 C29 1.380(8) . ?
C29 C30 1.379(8) . ?
C31 C32 1.400(7) . ?
C31 C36 1.409(8) . ?
C32 C33 1.375(8) . ?
C33 C34 1.404(8) . ?
C34 C35 1.375(9) . ?
C35 C36 1.369(8) . ?
C37 C42 1.369(8) . ?
C37 C38 1.395(8) . ?
C38 C39 1.387(9) . ?
C39 C40 1.342(10) . ?
C40 C41 1.372(10) . ?
C41 C42 1.387(9) . ?
C43 C48 1.369(9) . ?
C43 C44 1.385(9) . ?
C44 C45 1.414(9) . ?
C45 C46 1.327(11) . ?
C46 C47 1.381(11) . ?
C47 C48 1.402(9) . ?
