#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:08:12 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178886 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/15/4111545.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_4111545
loop_
_publ_author_name
'Zhong Mao'
'Jie-Sheng Huang'
'Chi-Ming Che'
'Nianyong Zhu'
'Sarana Ka-Yan Leung'
'Zhong-Yuan Zhou'
_publ_section_title
;
 Unexpected Reactivities of Cu2(diphosphine)2 Complexes in Alcohol:
 Isolation, X-ray Crystal Structure, and Photoluminescent Properties of a
 Remarkably Stable [Cu3(diphosphine)3(μ3-H)]2+ Hydride Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4562
_journal_page_last               4563
_journal_paper_doi               10.1021/ja042335c
_journal_volume                  127
_journal_year                    2005
_chemical_formula_moiety         'C75 H139 Cu3 F12 P8'
_chemical_formula_sum            'C75 H139 Cu3 F12 P8'
_chemical_formula_weight         1707.24
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   45.837(9)
_cell_length_b                   19.170(4)
_cell_length_c                   22.935(5)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     20153(7)
_computing_cell_refinement       Scalepack
_computing_data_collection       Marcontrol
_computing_data_reduction        Denzo
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    Shelxs-97
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.903
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_device_type  'Marresearch Imaging Plate mar300'
_diffrn_measurement_method       oscillation
_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  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0613
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -55
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            25625
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    0.809
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.125
_exptl_crystal_description       prism
_exptl_crystal_F_000             7232
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.809
_refine_diff_density_min         -1.175
_refine_diff_density_rms         0.295
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.321(17)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         8027
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1132P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1597
_reflns_number_gt                6248
_reflns_number_total             8027
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja042335csi20041220_101522.cif
_cod_data_source_block           complex_1c
_cod_database_code               4111545
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/4, y+1/4, z+1/4'
'x+3/4, -y+3/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x+1/4, y+3/4, z+3/4'
'x+3/4, -y+5/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+3/4, y+1/4, z+3/4'
'x+5/4, -y+3/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+3/4, y+3/4, z+1/4'
'x+5/4, -y+5/4, z+1/4'
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 0.0000 0.0000 0.04902(4) 0.0529(3) Uani 1 2 d S
Cu2 Cu 0.021121(13) 0.05549(4) -0.06027(3) 0.0523(2) Uani 1 1 d .
P1 P 0.03975(3) 0.04764(8) 0.09452(6) 0.0534(4) Uani 1 1 d .
P2 P 0.03711(3) 0.15155(8) -0.01066(6) 0.0534(4) Uani 1 1 d .
P3 P 0.03195(3) 0.02786(8) -0.15484(6) 0.0490(3) Uani 1 1 d .
P4 P 0.04717(6) -0.15804(15) -0.33670(11) 0.1111(9) Uani 1 1 d D
C1 C 0.05112(13) 0.1312(3) 0.0625(3) 0.0594(15) Uani 1 1 d .
H1A H 0.0723 0.1319 0.0608 0.071 Uiso 1 1 calc R
H1B H 0.0451 0.1683 0.0887 0.071 Uiso 1 1 calc R
C2 C 0.07366(12) -0.0034(3) 0.0910(3) 0.0598(15) Uani 1 1 d .
H2 H 0.0891 0.0254 0.1081 0.072 Uiso 1 1 calc R
C3 C 0.07230(14) -0.0706(4) 0.1264(3) 0.0755(19) Uani 1 1 d .
H3A H 0.0568 -0.1001 0.1115 0.091 Uiso 1 1 calc R
H3B H 0.0679 -0.0597 0.1668 0.091 Uiso 1 1 calc R
C4 C 0.10159(16) -0.1097(5) 0.1230(4) 0.094(2) Uani 1 1 d .
H4A H 0.1166 -0.0821 0.1419 0.113 Uiso 1 1 calc R
H4B H 0.1000 -0.1536 0.1436 0.113 Uiso 1 1 calc R
C5 C 0.11049(17) -0.1237(5) 0.0603(4) 0.096(2) Uani 1 1 d .
H5A H 0.0964 -0.1548 0.0422 0.115 Uiso 1 1 calc R
H5B H 0.1294 -0.1464 0.0596 0.115 Uiso 1 1 calc R
C6 C 0.11202(15) -0.0556(4) 0.0257(4) 0.083(2) Uani 1 1 d .
H6A H 0.1270 -0.0255 0.0420 0.100 Uiso 1 1 calc R
H6B H 0.1171 -0.0654 -0.0146 0.100 Uiso 1 1 calc R
C7 C 0.08274(14) -0.0194(4) 0.0284(3) 0.0733(18) Uani 1 1 d .
H7A H 0.0681 -0.0488 0.0103 0.088 Uiso 1 1 calc R
H7B H 0.0837 0.0238 0.0064 0.088 Uiso 1 1 calc R
C8 C 0.03534(12) 0.0668(3) 0.1725(3) 0.0601(15) Uani 1 1 d .
H8 H 0.0330 0.0217 0.1921 0.072 Uiso 1 1 calc R
C9 C 0.06065(15) 0.1040(5) 0.2032(3) 0.080(2) Uani 1 1 d .
H9A H 0.0784 0.0771 0.1982 0.096 Uiso 1 1 calc R
H9B H 0.0637 0.1493 0.1853 0.096 Uiso 1 1 calc R
C10 C 0.0545(2) 0.1135(7) 0.2681(4) 0.120(4) Uani 1 1 d .
H10A H 0.0543 0.0681 0.2868 0.144 Uiso 1 1 calc R
H10B H 0.0702 0.1406 0.2854 0.144 Uiso 1 1 calc R
C11 C 0.0259(2) 0.1496(6) 0.2795(4) 0.107(3) Uani 1 1 d .
H11A H 0.0223 0.1514 0.3211 0.129 Uiso 1 1 calc R
H11B H 0.0268 0.1971 0.2650 0.129 Uiso 1 1 calc R
C12 C 0.00194(18) 0.1123(4) 0.2507(3) 0.088(2) Uani 1 1 d .
H12A H -0.0163 0.1364 0.2581 0.106 Uiso 1 1 calc R
H12B H 0.0004 0.0656 0.2668 0.106 Uiso 1 1 calc R
C13 C 0.00732(13) 0.1078(4) 0.1840(3) 0.0672(16) Uani 1 1 d .
H13A H -0.0090 0.0848 0.1653 0.081 Uiso 1 1 calc R
H13B H 0.0091 0.1544 0.1678 0.081 Uiso 1 1 calc R
C14 C 0.06731(12) 0.1993(3) -0.0448(3) 0.0623(16) Uani 1 1 d .
H14 H 0.0594 0.2183 -0.0812 0.075 Uiso 1 1 calc R
C15 C 0.09257(12) 0.1518(4) -0.0626(3) 0.0693(16) Uani 1 1 d .
H15A H 0.1017 0.1329 -0.0279 0.083 Uiso 1 1 calc R
H15B H 0.0850 0.1130 -0.0852 0.083 Uiso 1 1 calc R
C16 C 0.11541(15) 0.1904(5) -0.0986(4) 0.092(2) Uani 1 1 d .
H16A H 0.1313 0.1589 -0.1077 0.111 Uiso 1 1 calc R
H16B H 0.1067 0.2056 -0.1350 0.111 Uiso 1 1 calc R
C17 C 0.12706(17) 0.2519(5) -0.0669(5) 0.108(3) Uani 1 1 d .
H17A H 0.1405 0.2769 -0.0920 0.129 Uiso 1 1 calc R
H17B H 0.1377 0.2363 -0.0328 0.129 Uiso 1 1 calc R
C18 C 0.1021(2) 0.3018(5) -0.0478(6) 0.123(4) Uani 1 1 d .
H18A H 0.1101 0.3398 -0.0250 0.148 Uiso 1 1 calc R
H18B H 0.0928 0.3215 -0.0821 0.148 Uiso 1 1 calc R
C19 C 0.07901(17) 0.2619(4) -0.0109(4) 0.084(2) Uani 1 1 d .
H19A H 0.0878 0.2460 0.0252 0.101 Uiso 1 1 calc R
H19B H 0.0631 0.2930 -0.0012 0.101 Uiso 1 1 calc R
C20 C 0.00977(13) 0.2195(3) 0.0050(3) 0.0586(14) Uani 1 1 d .
H20 H 0.0189 0.2536 0.0310 0.070 Uiso 1 1 calc R
C21 C -0.00005(17) 0.2584(4) -0.0494(3) 0.078(2) Uani 1 1 d .
H21A H -0.0093 0.2263 -0.0763 0.093 Uiso 1 1 calc R
H21B H 0.0167 0.2790 -0.0687 0.093 Uiso 1 1 calc R
C22 C -0.0220(2) 0.3167(5) -0.0316(4) 0.099(3) Uani 1 1 d .
H22A H -0.0120 0.3511 -0.0079 0.119 Uiso 1 1 calc R
H22B H -0.0290 0.3400 -0.0665 0.119 Uiso 1 1 calc R
C23 C -0.04800(18) 0.2890(5) 0.0020(4) 0.099(3) Uani 1 1 d .
H23A H -0.0597 0.2593 -0.0230 0.119 Uiso 1 1 calc R
H23B H -0.0601 0.3276 0.0148 0.119 Uiso 1 1 calc R
C24 C -0.03765(16) 0.2473(4) 0.0552(3) 0.0774(19) Uani 1 1 d .
H24A H -0.0280 0.2783 0.0825 0.093 Uiso 1 1 calc R
H24B H -0.0543 0.2267 0.0746 0.093 Uiso 1 1 calc R
C25 C -0.01646(13) 0.1897(4) 0.0366(3) 0.0712(18) Uani 1 1 d .
H25A H -0.0099 0.1644 0.0708 0.085 Uiso 1 1 calc R
H25B H -0.0265 0.1571 0.0112 0.085 Uiso 1 1 calc R
C26 C 0.0000 0.0000 -0.1962(4) 0.0547(19) Uani 1 2 d S
H26A H 0.0058 -0.0383 -0.2213 0.066 Uiso 0.50 1 calc PR
H26B H -0.0058 0.0383 -0.2213 0.066 Uiso 0.50 1 calc PR
C27 C 0.04767(12) 0.0983(3) -0.1992(3) 0.0596(14) Uani 1 1 d .
H27 H 0.0672 0.1072 -0.1835 0.071 Uiso 1 1 calc R
C28 C 0.05152(15) 0.0832(4) -0.2645(3) 0.0712(17) Uani 1 1 d .
H28A H 0.0326 0.0751 -0.2823 0.085 Uiso 1 1 calc R
H28B H 0.0632 0.0415 -0.2697 0.085 Uiso 1 1 calc R
C29 C 0.06660(19) 0.1457(5) -0.2944(4) 0.099(3) Uani 1 1 d .
H29A H 0.0864 0.1492 -0.2800 0.119 Uiso 1 1 calc R
H29B H 0.0676 0.1370 -0.3360 0.119 Uiso 1 1 calc R
C30 C 0.05115(19) 0.2147(5) -0.2840(4) 0.097(3) Uani 1 1 d .
H30A H 0.0627 0.2523 -0.3005 0.116 Uiso 1 1 calc R
H30B H 0.0324 0.2142 -0.3035 0.116 Uiso 1 1 calc R
C31 C 0.0468(2) 0.2271(4) -0.2216(4) 0.093(2) Uani 1 1 d .
H31A H 0.0359 0.2699 -0.2163 0.112 Uiso 1 1 calc R
H31B H 0.0657 0.2330 -0.2030 0.112 Uiso 1 1 calc R
C32 C 0.03042(14) 0.1666(3) -0.1920(3) 0.0639(15) Uani 1 1 d .
H32A H 0.0279 0.1767 -0.1509 0.077 Uiso 1 1 calc R
H32B H 0.0113 0.1615 -0.2095 0.077 Uiso 1 1 calc R
C33 C 0.05727(11) -0.0466(3) -0.1640(3) 0.0551(14) Uani 1 1 d .
H33 H 0.0586 -0.0570 -0.2057 0.066 Uiso 1 1 calc R
C34 C 0.08832(12) -0.0302(3) -0.1418(3) 0.0635(15) Uani 1 1 d .
H34A H 0.0962 0.0087 -0.1638 0.076 Uiso 1 1 calc R
H34B H 0.0873 -0.0164 -0.1012 0.076 Uiso 1 1 calc R
C35 C 0.10847(13) -0.0913(4) -0.1475(4) 0.0783(19) Uani 1 1 d .
H35A H 0.1270 -0.0802 -0.1292 0.094 Uiso 1 1 calc R
H35B H 0.1121 -0.1003 -0.1885 0.094 Uiso 1 1 calc R
C36 C 0.09578(15) -0.1576(4) -0.1191(3) 0.0759(19) Uani 1 1 d .
H36A H 0.1087 -0.1966 -0.1267 0.091 Uiso 1 1 calc R
H36B H 0.0948 -0.1510 -0.0772 0.091 Uiso 1 1 calc R
C37 C 0.06573(14) -0.1744(3) -0.1420(3) 0.0694(16) Uani 1 1 d .
H37A H 0.0579 -0.2145 -0.1215 0.083 Uiso 1 1 calc R
H37B H 0.0669 -0.1858 -0.1831 0.083 Uiso 1 1 calc R
C38 C 0.04552(13) -0.1112(3) -0.1333(3) 0.0625(15) Uani 1 1 d .
H38A H 0.0263 -0.1222 -0.1484 0.075 Uiso 1 1 calc R
H38B H 0.0436 -0.1017 -0.0919 0.075 Uiso 1 1 calc R
F1 F 0.0401(5) -0.2349(8) -0.3530(10) 0.198(8) Uiso 0.50 1 d PD
F2 F 0.0180(4) -0.1364(11) -0.3688(10) 0.201(7) Uiso 0.50 1 d PD
F3 F 0.0247(3) -0.2144(7) -0.3566(6) 0.124(4) Uiso 0.50 1 d PD
F4 F 0.0599(3) -0.0848(7) -0.3292(8) 0.157(5) Uiso 0.50 1 d PD
F5 F 0.0679(4) -0.1462(8) -0.3878(6) 0.157(5) Uiso 0.50 1 d PD
F6 F 0.0292(3) -0.1585(8) -0.2793(5) 0.123(4) Uiso 0.50 1 d PD
F7 F 0.0258(4) -0.1022(8) -0.3118(9) 0.183(6) Uiso 0.50 1 d PD
F8 F 0.0738(3) -0.1337(7) -0.2954(6) 0.140(4) Uiso 0.50 1 d PD
F9 F 0.0702(4) -0.2010(10) -0.2982(10) 0.196(7) Uiso 0.50 1 d PD
F10 F 0.0482(6) -0.1284(13) -0.4021(8) 0.234(10) Uiso 0.50 1 d PD
F11 F 0.0395(4) -0.2013(10) -0.2754(7) 0.184(7) Uiso 0.50 1 d PD
F12 F 0.0709(4) -0.2173(9) -0.3528(9) 0.183(6) Uiso 0.50 1 d PD
H0 H 0.0000 0.0000 -0.020(4) 0.06(2) Uiso 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 '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'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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
P1 Cu1 P1 125.78(9) . 2
P1 Cu1 Cu2 143.97(5) . 2
P1 Cu1 Cu2 88.96(4) 2 2
P1 Cu1 Cu2 88.96(4) . .
P1 Cu1 Cu2 143.97(5) 2 .
Cu2 Cu1 Cu2 59.70(3) 2 .
P2 Cu2 P3 126.10(6) . .
P2 Cu2 Cu2 144.27(4) . 2
P3 Cu2 Cu2 88.55(4) . 2
P2 Cu2 Cu1 88.41(5) . .
P3 Cu2 Cu1 144.09(5) . .
Cu2 Cu2 Cu1 60.150(17) 2 .
C1 P1 C2 101.9(3) . .
C1 P1 C8 104.3(3) . .
C2 P1 C8 104.0(3) . .
C1 P1 Cu1 113.0(2) . .
C2 P1 Cu1 116.1(2) . .
C8 P1 Cu1 115.8(2) . .
C14 P2 C1 103.4(3) . .
C14 P2 C20 104.1(3) . .
C1 P2 C20 102.1(3) . .
C14 P2 Cu2 115.5(2) . .
C1 P2 Cu2 113.3(2) . .
C20 P2 Cu2 116.6(2) . .
C26 P3 C27 104.0(3) . .
C26 P3 C33 102.6(2) . .
C27 P3 C33 104.9(3) . .
C26 P3 Cu2 112.8(2) . .
C27 P3 Cu2 116.1(2) . .
C33 P3 Cu2 114.97(19) . .
F5 P4 F4 73.3(8) . .
F5 P4 F1 94.9(11) . .
F4 P4 F1 167.5(11) . .
F5 P4 F6 169.2(8) . .
F4 P4 F6 96.4(8) . .
F1 P4 F6 95.1(10) . .
F5 P4 F7 124.8(10) . .
F4 P4 F7 64.4(8) . .
F1 P4 F7 127.5(11) . .
F6 P4 F7 50.2(8) . .
F5 P4 F3 106.7(8) . .
F4 P4 F3 156.9(9) . .
F1 P4 F3 30.2(8) . .
F6 P4 F3 84.0(7) . .
F7 P4 F3 99.8(9) . .
F5 P4 F2 97.4(10) . .
F4 P4 F2 97.6(10) . .
F1 P4 F2 87.8(12) . .
F6 P4 F2 87.0(10) . .
F7 P4 F2 57.3(10) . .
F3 P4 F2 59.2(9) . .
F5 P4 F9 95.2(11) . .
F4 P4 F9 99.2(9) . .
F1 P4 F9 77.4(12) . .
F6 P4 F9 83.0(10) . .
F7 P4 F9 124.3(12) . .
F3 P4 F9 103.8(10) . .
F2 P4 F9 161.3(11) . .
F5 P4 F10 37.9(9) . .
F4 P4 F10 76.6(11) . .
F1 P4 F10 96.7(13) . .
F6 P4 F10 144.1(12) . .
F7 P4 F10 96.8(13) . .
F3 P4 F10 89.5(11) . .
F2 P4 F10 59.8(12) . .
F9 P4 F10 132.7(13) . .
F5 P4 F12 60.7(9) . .
F4 P4 F12 114.5(10) . .
F1 P4 F12 54.4(10) . .
F6 P4 F12 123.2(9) . .
F7 P4 F12 171.6(11) . .
F3 P4 F12 83.6(9) . .
F2 P4 F12 130.3(11) . .
F9 P4 F12 47.3(9) . .
F10 P4 F12 90.9(12) . .
F5 P4 F8 86.4(8) . .
F4 P4 F8 51.8(7) . .
F1 P4 F8 124.9(11) . .
F6 P4 F8 84.5(7) . .
F7 P4 F8 93.5(9) . .
F3 P4 F8 150.5(8) . .
F2 P4 F8 146.8(10) . .
F9 P4 F8 47.8(8) . .
F10 P4 F8 115.1(11) . .
F12 P4 F8 80.1(9) . .
F5 P4 F11 148.5(10) . .
F4 P4 F11 116.2(10) . .
F1 P4 F11 71.8(11) . .
F6 P4 F11 34.0(7) . .
F7 P4 F11 84.2(10) . .
F3 P4 F11 76.3(8) . .
F2 P4 F11 110.1(11) . .
F9 P4 F11 54.6(9) . .
F10 P4 F11 165.7(12) . .
F12 P4 F11 89.2(11) . .
F8 P4 F11 79.0(9) . .
P1 C1 P2 116.8(3) . .
C3 C2 C7 110.1(6) . .
C3 C2 P1 113.1(4) . .
C7 C2 P1 112.2(4) . .
C2 C3 C4 110.3(6) . .
C5 C4 C3 111.7(7) . .
C4 C5 C6 110.7(7) . .
C7 C6 C5 109.3(6) . .
C6 C7 C2 111.8(6) . .
C13 C8 C9 108.5(5) . .
C13 C8 P1 111.2(4) . .
C9 C8 P1 117.1(4) . .
C10 C9 C8 111.3(7) . .
C11 C10 C9 112.6(7) . .
C12 C11 C10 110.5(7) . .
C11 C12 C13 110.6(7) . .
C8 C13 C12 109.3(6) . .
C19 C14 C15 109.8(5) . .
C19 C14 P2 116.0(5) . .
C15 C14 P2 112.9(4) . .
C16 C15 C14 112.0(6) . .
C17 C16 C15 111.7(7) . .
C16 C17 C18 111.2(7) . .
C19 C18 C17 110.5(8) . .
C14 C19 C18 110.3(7) . .
C25 C20 C21 110.0(5) . .
C25 C20 P2 111.5(5) . .
C21 C20 P2 112.8(4) . .
C20 C21 C22 109.2(6) . .
C23 C22 C21 113.0(8) . .
C22 C23 C24 110.2(6) . .
C25 C24 C23 110.6(6) . .
C20 C25 C24 111.4(6) . .
P3 C26 P3 117.3(4) . 2
C32 C27 C28 108.9(5) . .
C32 C27 P3 111.4(4) . .
C28 C27 P3 116.5(5) . .
C27 C28 C29 109.7(6) . .
C30 C29 C28 113.5(6) . .
C31 C30 C29 110.9(7) . .
C30 C31 C32 112.0(7) . .
C27 C32 C31 110.0(6) . .
C38 C33 C34 109.8(5) . .
C38 C33 P3 110.7(4) . .
C34 C33 P3 112.6(4) . .
C35 C34 C33 112.4(6) . .
C34 C35 C36 112.0(5) . .
C37 C36 C35 111.9(6) . .
C36 C37 C38 109.7(6) . .
C33 C38 C37 111.6(5) . .
F3 F1 F12 137(2) . .
F3 F1 P4 75.3(13) . .
F12 F1 P4 64.9(9) . .
F7 F2 F3 102.5(13) . .
F7 F2 F10 99.7(14) . .
F3 F2 F10 90.4(14) . .
F7 F2 P4 60.6(8) . .
F3 F2 P4 59.7(7) . .
F10 F2 P4 60.9(9) . .
F1 F3 F2 131.1(18) . .
F1 F3 P4 74.5(12) . .
F2 F3 P4 61.0(7) . .
F8 F4 P4 67.3(8) . .
F8 F4 F7 99.5(12) . .
P4 F4 F7 58.6(7) . .
F10 F5 P4 75.4(12) . .
F10 F5 F12 121.9(19) . .
P4 F5 F12 62.5(8) . .
F11 F6 F7 144.8(17) . .
F11 F6 P4 79.8(12) . .
F7 F6 P4 65.1(8) . .
F6 F7 F2 99.4(14) . .
F6 F7 P4 64.7(8) . .
F2 F7 P4 62.1(8) . .
F6 F7 F4 101.1(12) . .
F2 F7 F4 95.9(13) . .
P4 F7 F4 57.0(7) . .
F9 F8 F4 125.9(12) . .
F9 F8 P4 65.6(8) . .
F4 F8 P4 60.9(7) . .
F12 F9 F8 106.6(17) . .
F12 F9 F11 111.2(16) . .
F8 F9 F11 96.2(16) . .
F12 F9 P4 66.9(9) . .
F8 F9 P4 66.7(8) . .
F11 F9 P4 65.1(8) . .
F5 F10 F2 125.7(17) . .
F5 F10 P4 66.8(11) . .
F2 F10 P4 59.3(9) . .
F6 F11 F9 115.3(17) . .
F6 F11 P4 66.2(11) . .
F9 F11 P4 60.4(7) . .
F9 F12 F1 92.0(17) . .
F9 F12 F5 106.3(14) . .
F1 F12 F5 96.5(14) . .
F9 F12 P4 65.8(8) . .
F1 F12 P4 60.7(8) . .
F5 F12 P4 56.8(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 P1 2.2897(15) .
Cu1 P1 2.2897(15) 2
Cu1 Cu2 2.8898(11) 2
Cu1 Cu2 2.8898(11) .
Cu2 P2 2.2853(17) .
Cu2 P3 2.2873(16) .
Cu2 Cu2 2.8767(14) 2
P1 C1 1.838(6) .
P1 C2 1.839(6) .
P1 C8 1.838(6) .
P2 C14 1.835(6) .
P2 C1 1.838(6) .
P2 C20 1.842(6) .
P3 C26 1.825(5) .
P3 C27 1.838(6) .
P3 C33 1.851(6) .
P4 F5 1.525(12) .
P4 F4 1.530(12) .
P4 F1 1.555(13) .
P4 F6 1.553(11) .
P4 F7 1.558(13) .
P4 F3 1.561(10) .
P4 F2 1.581(14) .
P4 F9 1.602(13) .
P4 F10 1.606(15) .
P4 F12 1.615(13) .
P4 F8 1.616(11) .
P4 F11 1.671(13) .
C2 C3 1.524(9) .
C2 C7 1.526(9) .
C3 C4 1.539(9) .
C4 C5 1.518(13) .
C5 C6 1.529(11) .
C6 C7 1.512(9) .
C8 C13 1.529(8) .
C8 C9 1.533(9) .
C9 C10 1.526(11) .
C10 C11 1.507(14) .
C11 C12 1.466(12) .
C12 C13 1.553(10) .
C14 C19 1.527(9) .
C14 C15 1.529(9) .
C15 C16 1.524(10) .
C16 C17 1.483(12) .
C17 C18 1.555(14) .
C18 C19 1.556(11) .
C20 C25 1.515(9) .
C20 C21 1.522(10) .
C21 C22 1.560(10) .
C22 C23 1.515(13) .
C23 C24 1.533(12) .
C24 C25 1.531(10) .
C26 P3 1.825(4) 2
C27 C32 1.537(9) .
C27 C28 1.537(10) .
C28 C29 1.543(10) .
C29 C30 1.519(12) .
C30 C31 1.464(13) .
C31 C32 1.540(10) .
C33 C38 1.525(8) .
C33 C34 1.543(8) .
C34 C35 1.497(9) .
C35 C36 1.541(10) .
C36 C37 1.509(10) .
C37 C38 1.537(9) .
F1 F3 0.81(2) .
F1 F12 1.45(2) .
F2 F7 1.51(3) .
F2 F3 1.55(2) .
F2 F10 1.59(3) .
F4 F8 1.375(18) .
F4 F7 1.65(2) .
F5 F10 1.02(2) .
F5 F12 1.59(2) .
F6 F11 0.951(19) .
F6 F7 1.320(19) .
F8 F9 1.30(2) .
F9 F12 1.29(2) .
F9 F11 1.50(2) .
