#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:28:44 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180264 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/50/7115035.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_7115035
loop_
_publ_author_name
'Song, Hai-Bin'
'Wang, Quan-Ming'
'Mak, Thomas C. W.'
'Zhang, Zheng-Zhi'
_publ_section_title
;
 A novel luminescent copper(i) complex containing an
 acetylenediide-bridged, butterfly-shaped tetranuclear core
;
_journal_issue                   17
_journal_name_full               'Chemical Communications'
_journal_page_first              1658
_journal_paper_doi               10.1039/b102717b
_journal_year                    2001
_chemical_formula_sum            'C85 H70 Cl8 Cu4 N12 O8 P4'
_chemical_formula_weight         2049.17
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.785(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.343(9)
_cell_length_b                   17.303(8)
_cell_length_c                   26.256(12)
_cell_measurement_temperature    293(2)
_cell_volume                     9607(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0612
_diffrn_reflns_av_sigmaI/netI    0.0945
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            25902
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    1.220
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.656986
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4160
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.674
_refine_diff_density_min         -0.344
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.905
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     601
_refine_ls_number_reflns         8484
_refine_ls_number_restraints     47
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.1177
_refine_ls_R_factor_gt           0.0546
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0930P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1524
_refine_ls_wR_factor_ref         0.1736
_reflns_number_gt                4107
_reflns_number_total             8484
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b102717b.txt
_cod_data_source_block           cu4c2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7115035
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.08763(3) 0.28585(4) 0.24677(3) 0.0541(2) Uani 1 1 d .
Cu2 Cu 0.01579(3) 0.34524(4) 0.15615(3) 0.0561(3) Uani 1 1 d .
C1 C -0.0034(3) 0.3377(3) 0.2258(2) 0.0483(15) Uani 1 1 d .
P1 P 0.10852(7) 0.19200(9) 0.19393(6) 0.0509(4) Uani 1 1 d .
C2 C 0.1770(3) 0.2022(3) 0.1595(3) 0.0553(16) Uani 1 1 d .
C3 C 0.1842(4) 0.1596(5) 0.1155(3) 0.086(2) Uani 1 1 d .
H3A H 0.1537 0.1240 0.1022 0.103 Uiso 1 1 calc R
C4 C 0.2389(5) 0.1717(6) 0.0919(4) 0.113(3) Uani 1 1 d .
H4A H 0.2440 0.1430 0.0628 0.136 Uiso 1 1 calc R
C5 C 0.2830(5) 0.2220(6) 0.1093(4) 0.108(3) Uani 1 1 d .
H5A H 0.3180 0.2296 0.0923 0.129 Uiso 1 1 calc R
C6 C 0.2763(4) 0.2614(5) 0.1513(5) 0.113(3) Uani 1 1 d .
H6A H 0.3079 0.2960 0.1642 0.135 Uiso 1 1 calc R
C7 C 0.2232(4) 0.2532(4) 0.1774(4) 0.095(3) Uani 1 1 d .
H7A H 0.2198 0.2823 0.2067 0.113 Uiso 1 1 calc R
C8 C 0.1206(3) 0.0997(3) 0.2278(2) 0.0551(16) Uani 1 1 d .
C9 C 0.1624(3) 0.0445(4) 0.2176(3) 0.091(3) Uani 1 1 d .
H9A H 0.1866 0.0520 0.1911 0.109 Uiso 1 1 calc R
C10 C 0.1693(5) -0.0228(5) 0.2462(4) 0.125(4) Uani 1 1 d .
H10A H 0.1987 -0.0599 0.2395 0.150 Uiso 1 1 calc R
C11 C 0.1328(5) -0.0346(5) 0.2844(4) 0.120(3) Uani 1 1 d .
H11A H 0.1376 -0.0798 0.3037 0.144 Uiso 1 1 calc R
C12 C 0.0894(4) 0.0192(5) 0.2946(4) 0.112(3) Uani 1 1 d .
H12A H 0.0636 0.0107 0.3199 0.134 Uiso 1 1 calc R
C13 C 0.0849(4) 0.0848(4) 0.2671(3) 0.086(2) Uani 1 1 d .
H13A H 0.0562 0.1222 0.2747 0.103 Uiso 1 1 calc R
N1 N 0.0129(2) 0.2346(3) 0.12159(18) 0.0528(13) Uani 1 1 d .
N2 N -0.0649(3) 0.2927(4) 0.0645(2) 0.0688(15) Uani 1 1 d .
N3 N -0.0526(2) 0.3600(3) 0.0912(2) 0.0681(15) Uani 1 1 d .
C14 C 0.0439(3) 0.1700(4) 0.1414(2) 0.0533(16) Uani 1 1 d .
C15 C 0.0277(3) 0.0976(4) 0.1231(3) 0.0692(19) Uani 1 1 d .
H15A H 0.0503 0.0549 0.1370 0.083 Uiso 1 1 calc R
C16 C -0.0214(4) 0.0880(5) 0.0846(3) 0.088(2) Uani 1 1 d .
H16A H -0.0326 0.0389 0.0721 0.105 Uiso 1 1 calc R
C17 C -0.0538(3) 0.1519(5) 0.0645(3) 0.081(2) Uani 1 1 d .
H17A H -0.0878 0.1471 0.0386 0.097 Uiso 1 1 calc R
C18 C -0.0346(3) 0.2242(4) 0.0839(2) 0.0613(17) Uani 1 1 d .
C19 C -0.1074(4) 0.3038(6) 0.0213(3) 0.092(2) Uani 1 1 d .
H19A H -0.1223 0.2667 -0.0030 0.111 Uiso 1 1 calc R
C20 C -0.1237(4) 0.3795(6) 0.0209(3) 0.102(3) Uani 1 1 d .
H20A H -0.1525 0.4044 -0.0035 0.122 Uiso 1 1 calc R
C21 C -0.0885(4) 0.4130(5) 0.0644(3) 0.087(2) Uani 1 1 d .
H21A H -0.0901 0.4650 0.0733 0.104 Uiso 1 1 calc R
P2 P 0.08820(8) 0.43696(10) 0.15538(7) 0.0605(5) Uani 1 1 d .
C22 C 0.1516(3) 0.4408(4) 0.1156(3) 0.0646(18) Uani 1 1 d .
C23 C 0.2029(4) 0.4875(5) 0.1222(3) 0.095(3) Uani 1 1 d .
H23A H 0.2088 0.5196 0.1508 0.114 Uiso 1 1 calc R
C24 C 0.2467(4) 0.4894(6) 0.0884(4) 0.110(3) Uani 1 1 d .
H24A H 0.2810 0.5230 0.0938 0.132 Uiso 1 1 calc R
C25 C 0.2395(5) 0.4431(7) 0.0480(4) 0.118(3) Uani 1 1 d .
H25A H 0.2687 0.4448 0.0247 0.141 Uiso 1 1 calc R
C26 C 0.1900(6) 0.3928(7) 0.0399(4) 0.143(4) Uani 1 1 d .
H26A H 0.1858 0.3594 0.0119 0.171 Uiso 1 1 calc R
C27 C 0.1456(4) 0.3924(5) 0.0746(4) 0.105(3) Uani 1 1 d .
H27A H 0.1115 0.3585 0.0694 0.126 Uiso 1 1 calc R
C28 C 0.0427(3) 0.5242(4) 0.1370(3) 0.079(2) Uani 1 1 d .
C29 C -0.0005(4) 0.5492(5) 0.1676(4) 0.095(3) Uani 1 1 d .
H29A H -0.0030 0.5252 0.1990 0.114 Uiso 1 1 calc R
C30 C -0.0406(5) 0.6106(6) 0.1517(5) 0.133(4) Uani 1 1 d .
H30A H -0.0688 0.6280 0.1732 0.160 Uiso 1 1 calc R
C31 C -0.0397(6) 0.6458(7) 0.1056(6) 0.180(6) Uani 1 1 d .
H31A H -0.0671 0.6863 0.0953 0.216 Uiso 1 1 calc R
C32 C 0.0023(6) 0.6203(9) 0.0748(6) 0.220(8) Uani 1 1 d .
H32A H 0.0040 0.6442 0.0433 0.264 Uiso 1 1 calc R
C33 C 0.0428(5) 0.5587(6) 0.0897(4) 0.137(4) Uani 1 1 d .
H33A H 0.0700 0.5408 0.0675 0.164 Uiso 1 1 calc R
N4 N 0.1404(2) 0.3984(3) 0.2519(2) 0.0526(13) Uani 1 1 d .
N5 N 0.1788(2) 0.3440(4) 0.3298(2) 0.0689(16) Uani 1 1 d .
N6 N 0.1491(2) 0.2759(3) 0.3136(2) 0.0633(14) Uani 1 1 d .
C34 C 0.1284(3) 0.4598(4) 0.2205(3) 0.0602(17) Uani 1 1 d .
C35 C 0.1453(3) 0.5332(4) 0.2381(3) 0.078(2) Uani 1 1 d .
H35A H 0.1374 0.5756 0.2164 0.094 Uiso 1 1 calc R
C36 C 0.1743(4) 0.5435(5) 0.2886(4) 0.090(3) Uani 1 1 d .
H36A H 0.1859 0.5928 0.3006 0.108 Uiso 1 1 calc R
C37 C 0.1855(3) 0.4813(5) 0.3203(3) 0.079(2) Uani 1 1 d .
H37A H 0.2037 0.4869 0.3543 0.095 Uiso 1 1 calc R
C38 C 0.1686(3) 0.4094(4) 0.2997(3) 0.0599(17) Uani 1 1 d .
C39 C 0.2154(4) 0.3336(6) 0.3755(4) 0.104(3) Uani 1 1 d .
H39A H 0.2397 0.3715 0.3940 0.124 Uiso 1 1 calc R
C40 C 0.2110(4) 0.2582(7) 0.3899(4) 0.121(3) Uani 1 1 d .
H40A H 0.2310 0.2348 0.4197 0.146 Uiso 1 1 calc R
C41 C 0.1685(4) 0.2224(5) 0.3493(3) 0.093(3) Uani 1 1 d .
H41A H 0.1565 0.1707 0.3481 0.112 Uiso 1 1 calc R
Cl1 Cl 0.13979(11) -0.06021(14) 0.05575(10) 0.1051(8) Uani 1 1 d D
O1 O 0.1668(7) -0.1243(9) 0.0342(7) 0.140(9) Uani 0.50 1 d PD
O2 O 0.1925(7) -0.0157(8) 0.0796(7) 0.147(8) Uani 0.50 1 d PD
O3 O 0.1178(10) -0.0102(9) 0.0145(7) 0.194(11) Uani 0.50 1 d PD
O4 O 0.0962(10) -0.0766(15) 0.0866(9) 0.300 Uiso 0.50 1 d PD
O1' O 0.0798(5) -0.0299(9) 0.0402(6) 0.128(6) Uani 0.50 1 d PD
O2' O 0.1588(9) -0.0432(8) 0.1075(4) 0.151(8) Uani 0.50 1 d PD
O3' O 0.1298(9) -0.1430(5) 0.0557(7) 0.141(8) Uani 0.50 1 d PD
O4' O 0.1820(10) -0.0450(16) 0.0226(9) 0.300 Uiso 0.50 1 d PD
C42 C 0.0493(5) 0.1359(5) -0.0372(3) 0.149(4) Uani 1 1 d D
H42A H 0.0038 0.1436 -0.0422 0.179 Uiso 1 1 calc R
H42B H 0.0582 0.0886 -0.0178 0.179 Uiso 1 1 calc R
Cl2 Cl 0.0756(2) 0.12686(18) -0.09630(15) 0.1885(16) Uani 1 1 d D
Cl3 Cl 0.08504(18) 0.21200(18) -0.00297(12) 0.1623(13) Uani 1 1 d D
C43 C 0.0962(7) 0.7898(10) 0.1710(5) 0.191(14) Uani 0.50 1 d PD
Cl4 Cl 0.1675(6) 0.7476(8) 0.1968(6) 0.157(6) Uani 0.30 1 d PD
Cl5 Cl 0.0544(7) 0.7836(11) 0.2233(7) 0.281(10) Uani 0.30 1 d PD
Cl4' Cl 0.1457(13) 0.7558(9) 0.2245(6) 0.180(13) Uani 0.20 1 d PD
Cl5' Cl 0.1138(13) 0.7191(10) 0.1273(6) 0.269(14) Uani 0.20 1 d PD
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Cl Cl 0.1484 0.1585 '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'
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
N6 Cu1 C1 135.0(2) . .
N6 Cu1 C1 102.0(2) . 2
C1 Cu1 C1 33.6(3) . 2
N6 Cu1 P1 108.32(16) . .
C1 Cu1 P1 113.40(15) . .
C1 Cu1 P1 137.74(15) 2 .
N6 Cu1 N4 76.3(2) . .
C1 Cu1 N4 94.73(19) . .
C1 Cu1 N4 92.97(18) 2 .
P1 Cu1 N4 122.04(14) . .
N6 Cu1 Cu2 163.03(17) . .
C1 Cu1 Cu2 42.77(15) . .
C1 Cu1 Cu2 75.91(15) 2 .
P1 Cu1 Cu2 82.67(6) . .
N4 Cu1 Cu2 86.91(14) . .
C1 Cu2 N3 124.2(2) . .
C1 Cu2 N1 110.3(2) . .
N3 Cu2 N1 77.6(2) . .
C1 Cu2 P2 107.13(17) . .
N3 Cu2 P2 108.29(17) . .
N1 Cu2 P2 128.59(14) . .
C1 Cu2 Cu1 48.91(17) . .
N3 Cu2 Cu1 163.39(16) . .
N1 Cu2 Cu1 90.74(14) . .
P2 Cu2 Cu1 88.21(6) . .
C1 C1 Cu2 160.9(7) 2 .
C1 C1 Cu1 76.3(5) 2 .
Cu2 C1 Cu1 88.3(2) . .
C1 C1 Cu1 70.1(4) 2 2
Cu2 C1 Cu1 128.4(3) . 2
Cu1 C1 Cu1 119.6(2) . 2
C2 P1 C8 104.8(3) . .
C2 P1 C14 102.5(3) . .
C8 P1 C14 102.9(3) . .
C2 P1 Cu1 118.7(2) . .
C8 P1 Cu1 111.2(2) . .
C14 P1 Cu1 115.1(2) . .
C7 C2 C3 118.3(7) . .
C7 C2 P1 118.8(6) . .
C3 C2 P1 122.9(5) . .
C2 C3 C4 118.5(8) . .
C5 C4 C3 122.8(9) . .
C4 C5 C6 118.5(9) . .
C5 C6 C7 122.6(9) . .
C2 C7 C6 119.4(8) . .
C9 C8 C13 117.3(6) . .
C9 C8 P1 124.8(5) . .
C13 C8 P1 117.9(5) . .
C8 C9 C10 120.6(8) . .
C11 C10 C9 119.7(8) . .
C12 C11 C10 120.7(8) . .
C13 C12 C11 118.3(8) . .
C12 C13 C8 123.4(7) . .
C18 N1 C14 117.0(5) . .
C18 N1 Cu2 114.6(4) . .
C14 N1 Cu2 126.4(4) . .
C19 N2 N3 111.5(6) . .
C19 N2 C18 129.6(7) . .
N3 N2 C18 118.9(5) . .
C21 N3 N2 105.0(6) . .
C21 N3 Cu2 142.8(6) . .
N2 N3 Cu2 112.1(4) . .
N1 C14 C15 122.0(6) . .
N1 C14 P1 112.8(4) . .
C15 C14 P1 125.2(5) . .
C16 C15 C14 120.3(7) . .
C15 C16 C17 118.8(7) . .
C16 C17 C18 118.5(6) . .
N1 C18 C17 123.4(6) . .
N1 C18 N2 114.9(6) . .
C17 C18 N2 121.7(6) . .
C20 C19 N2 106.5(8) . .
C19 C20 C21 106.5(7) . .
N3 C21 C20 110.5(8) . .
C22 P2 C28 103.2(3) . .
C22 P2 C34 103.6(3) . .
C28 P2 C34 103.4(3) . .
C22 P2 Cu2 127.2(3) . .
C28 P2 Cu2 104.4(2) . .
C34 P2 Cu2 112.4(2) . .
C23 C22 C27 117.2(7) . .
C23 C22 P2 126.9(6) . .
C27 C22 P2 115.9(6) . .
C22 C23 C24 122.8(9) . .
C25 C24 C23 119.3(9) . .
C24 C25 C26 121.0(9) . .
C25 C26 C27 118.7(10) . .
C22 C27 C26 121.0(9) . .
C29 C28 C33 118.3(7) . .
C29 C28 P2 118.7(6) . .
C33 C28 P2 122.2(7) . .
C28 C29 C30 119.9(9) . .
C31 C30 C29 121.9(10) . .
C30 C31 C32 118.4(10) . .
C31 C32 C33 120.9(11) . .
C28 C33 C32 120.5(10) . .
C38 N4 C34 119.3(6) . .
C38 N4 Cu1 109.9(4) . .
C34 N4 Cu1 126.5(4) . .
C39 N5 N6 110.3(7) . .
C39 N5 C38 130.1(7) . .
N6 N5 C38 119.5(5) . .
C41 N6 N5 106.7(6) . .
C41 N6 Cu1 139.2(5) . .
N5 N6 Cu1 114.1(4) . .
N4 C34 C35 120.0(7) . .
N4 C34 P2 115.1(5) . .
C35 C34 P2 125.0(6) . .
C34 C35 C36 119.8(7) . .
C37 C36 C35 119.8(7) . .
C36 C37 C38 117.3(7) . .
N4 C38 N5 116.0(6) . .
N4 C38 C37 123.9(7) . .
N5 C38 C37 120.1(7) . .
N5 C39 C40 108.6(8) . .
C39 C40 C41 105.4(8) . .
N6 C41 C40 108.9(8) . .
O4 Cl1 O4' 177.2(13) . .
O4 Cl1 O1' 64.7(11) . .
O4' Cl1 O1' 113.7(10) . .
O4 Cl1 O2' 65.9(11) . .
O4' Cl1 O2' 116.8(10) . .
O1' Cl1 O2' 109.9(8) . .
O4 Cl1 O1 115.6(10) . .
O4' Cl1 O1 63.3(10) . .
O1' Cl1 O1 126.3(9) . .
O2' Cl1 O1 118.5(10) . .
O4 Cl1 O3 113.9(10) . .
O4' Cl1 O3 64.7(11) . .
O1' Cl1 O3 49.4(8) . .
O2' Cl1 O3 129.7(10) . .
O1 Cl1 O3 106.6(9) . .
O4 Cl1 O2 114.6(10) . .
O4' Cl1 O2 68.2(11) . .
O1' Cl1 O2 124.1(10) . .
O2' Cl1 O2 49.8(8) . .
O1 Cl1 O2 105.0(8) . .
O3 Cl1 O2 99.5(7) . .
O4 Cl1 O3' 71.2(11) . .
O4' Cl1 O3' 107.5(9) . .
O1' Cl1 O3' 104.1(8) . .
O2' Cl1 O3' 103.5(7) . .
O1 Cl1 O3' 44.5(8) . .
O3 Cl1 O3' 124.8(10) . .
O2 Cl1 O3' 129.6(10) . .
O3' O1 Cl1 69.9(8) . .
O3' O1 O4' 126.4(12) . .
Cl1 O1 O4' 57.0(7) . .
O2' O2 Cl1 63.4(6) . .
O2' O2 O4' 116.0(10) . .
Cl1 O2 O4' 53.7(6) . .
O1' O3 Cl1 64.4(7) . .
O1' O3 O4' 119.9(11) . .
Cl1 O3 O4' 55.9(6) . .
Cl1 O4 O1' 59.3(7) . .
Cl1 O4 O2' 58.7(7) . .
O1' O4 O2' 101.1(11) . .
Cl1 O4 O3' 57.3(7) . .
O1' O4 O3' 92.6(11) . .
O2' O4 O3' 91.3(11) . .
O3 O1' Cl1 66.3(7) . .
O3 O1' O4 122.1(11) . .
Cl1 O1' O4 56.0(7) . .
O2 O2' Cl1 66.8(8) . .
O2 O2' O4 120.9(12) . .
Cl1 O2' O4 55.4(7) . .
O1 O3' Cl1 65.6(8) . .
O1 O3' O4 116.9(11) . .
Cl1 O3' O4 51.5(6) . .
Cl1 O4' O1 59.7(7) . .
Cl1 O4' O3 59.4(7) . .
O1 O4' O3 100.6(11) . .
Cl1 O4' O2 58.1(7) . .
O1 O4' O2 96.4(11) . .
O3 O4' O2 90.8(12) . .
Cl3 C42 Cl2 111.4(5) . .
Cl4 C43 Cl5 100.5(8) . .
Cl4 C43 Cl4' 30.8(8) . .
Cl5 C43 Cl4' 70.3(11) . .
Cl4 C43 Cl5' 73.1(10) . .
Cl5 C43 Cl5' 130.7(14) . .
Cl4' C43 Cl5' 97.6(9) . .
Cl4' Cl4 C43 74.7(10) . .
Cl4' Cl4 Cl5' 116.7(18) . .
C43 Cl4 Cl5' 53.7(6) . .
C43 Cl5 Cl4' 54.9(6) . .
Cl4 Cl4' C43 74.4(8) . .
Cl4 Cl4' Cl5 128.0(13) . .
C43 Cl4' Cl5 54.8(7) . .
C43 Cl5' Cl4 53.2(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N6 2.050(5) .
Cu1 C1 2.143(6) .
Cu1 C1 2.215(6) 2
Cu1 P1 2.2200(19) .
Cu1 N4 2.244(5) .
Cu1 Cu2 2.8427(14) .
Cu2 C1 1.931(6) .
Cu2 N3 2.104(5) .
Cu2 N1 2.116(5) .
Cu2 P2 2.217(2) .
C1 C1 1.261(11) 2
C1 Cu1 2.215(6) 2
P1 C2 1.828(6) .
P1 C8 1.829(6) .
P1 C14 1.854(6) .
C2 C7 1.358(9) .
C2 C3 1.396(9) .
C3 C4 1.408(11) .
C4 C5 1.318(11) .
C5 C6 1.322(12) .
C6 C7 1.410(11) .
C8 C9 1.359(9) .
C8 C13 1.387(9) .
C9 C10 1.383(10) .
C10 C11 1.367(11) .
C11 C12 1.366(11) .
C12 C13 1.341(10) .
N1 C18 1.330(7) .
N1 C14 1.366(7) .
N2 C19 1.366(9) .
N2 N3 1.366(7) .
N2 C18 1.411(8) .
N3 C21 1.334(8) .
C14 C15 1.368(8) .
C15 C16 1.365(9) .
C16 C17 1.372(9) .
C17 C18 1.391(9) .
C19 C20 1.355(11) .
C20 C21 1.406(11) .
P2 C22 1.819(7) .
P2 C28 1.824(7) .
P2 C34 1.848(7) .
C22 C23 1.354(9) .
C22 C27 1.356(10) .
C23 C24 1.373(11) .
C24 C25 1.322(13) .
C25 C26 1.364(13) .
C26 C27 1.400(11) .
C28 C29 1.374(10) .
C28 C33 1.378(11) .
C29 C30 1.392(11) .
C30 C31 1.356(15) .
C31 C32 1.359(16) .
C32 C33 1.394(13) .
N4 C38 1.331(8) .
N4 C34 1.349(8) .
N5 C39 1.352(10) .
N5 N6 1.378(7) .
N5 C38 1.381(8) .
N6 C41 1.343(9) .
C34 C35 1.383(9) .
C35 C36 1.397(11) .
C36 C37 1.361(10) .
C37 C38 1.384(9) .
C39 C40 1.366(12) .
C40 C41 1.442(11) .
Cl1 O4 1.345(10) .
Cl1 O4' 1.362(9) .
Cl1 O1' 1.394(8) .
Cl1 O2' 1.396(9) .
Cl1 O1 1.403(9) .
Cl1 O3 1.415(9) .
Cl1 O2 1.436(8) .
Cl1 O3' 1.447(9) .
O1 O3' 1.08(2) .
O1 O4' 1.45(2) .
O2 O2' 1.192(18) .
O2 O4' 1.57(2) .
O3 O1' 1.174(18) .
O3 O4' 1.49(2) .
O4 O1' 1.47(2) .
O4 O2' 1.49(2) .
O4 O3' 1.63(2) .
C42 Cl3 1.714(7) .
C42 Cl2 1.727(7) .
C43 Cl4 1.739(10) .
C43 Cl5 1.739(10) .
C43 Cl4' 1.741(10) .
C43 Cl5' 1.751(10) .
Cl4 Cl4' 0.93(2) .
Cl4 Cl5' 2.08(2) .
Cl5 Cl4' 2.00(3) .
