#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/51/7035194.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_7035194
loop_
_publ_author_name
'Kang, Liju'
'Chen, Jin'
'Teng, Teng'
'Chen, Xu-Lin'
'Yu, Rongmin'
'Lu, Can-Zhong'
_publ_section_title
;
 Experimental and theoretical studies of highly emissive dinuclear Cu(i)
 halide complexes with delayed fluorescence.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11649
_journal_page_last               11659
_journal_paper_doi               10.1039/c5dt01292a
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C64 H56 Cu2 I2 P4'
_chemical_formula_weight         1329.85
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-03-31 deposited with the CCDC.
2015-05-18 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 104.156(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.9969(4)
_cell_length_b                   10.4072(2)
_cell_length_c                   24.4603(4)
_cell_measurement_reflns_used    10010
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.1500
_cell_measurement_theta_min      3.0790
_cell_volume                     5429.56(18)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.3503
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0267
_diffrn_reflns_av_sigmaI/netI    0.0364
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            21433
_diffrn_reflns_theta_full        76.55
_diffrn_reflns_theta_max         76.55
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    11.320
_exptl_absorpt_correction_T_max  0.4645
_exptl_absorpt_correction_T_min  0.2105
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.483
_refine_diff_density_min         -1.212
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         11095
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0388
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0636P)²+5.9085P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1037
_reflns_number_gt                9965
_reflns_number_total             11095
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt01292a2.cif
_cod_data_source_block           xl
_cod_depositor_comments
'Adding full bibliography for 7035194--7035196.cif.'
_cod_original_cell_volume        5429.56(17)
_cod_original_sg_symbol_H-M      P2/n
_cod_database_code               7035194
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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 0.70627(2) 0.18105(5) 0.18786(2) 0.01881(11) Uani 1 1 d .
Cu2 Cu 0.19865(2) 0.42243(5) 0.19377(2) 0.01710(11) Uani 1 1 d .
I1 I 0.671919(9) 0.22484(2) 0.281070(9) 0.02158(7) Uani 1 1 d .
I2 I 0.181334(9) 0.47791(2) 0.294310(9) 0.02012(7) Uani 1 1 d .
P1 P 0.68126(4) -0.01402(8) 0.14707(4) 0.01782(17) Uani 1 1 d .
P2 P 0.64776(4) 0.27200(8) 0.10465(4) 0.01760(17) Uani 1 1 d .
P3 P 0.17096(4) 0.22337(8) 0.15764(4) 0.01541(16) Uani 1 1 d .
P4 P 0.12706(4) 0.50531(8) 0.11438(3) 0.01526(16) Uani 1 1 d .
C1 C 0.67741(16) 0.0235(4) 0.07324(15) 0.0200(7) Uani 1 1 d .
C2 C 0.65694(15) 0.1475(3) 0.05362(15) 0.0199(7) Uani 1 1 d .
C3 C 0.65023(17) 0.1760(4) -0.00360(15) 0.0235(7) Uani 1 1 d .
H3A H 0.6347 0.2577 -0.0177 0.028 Uiso 1 1 calc R
C4 C 0.66596(18) 0.0865(4) -0.03974(16) 0.0272(8) Uani 1 1 d .
H4A H 0.6609 0.1073 -0.0784 0.033 Uiso 1 1 calc R
C5 C 0.68900(17) -0.0331(4) -0.01997(16) 0.0251(8) Uani 1 1 d .
H5A H 0.7013 -0.0929 -0.0446 0.030 Uiso 1 1 calc R
C6 C 0.69396(16) -0.0649(4) 0.03639(16) 0.0225(7) Uani 1 1 d .
H6A H 0.7087 -0.1476 0.0498 0.027 Uiso 1 1 calc R
C7 C 0.60403(16) -0.0852(3) 0.14350(16) 0.0195(7) Uani 1 1 d .
C8 C 0.57276(17) -0.1599(4) 0.09784(17) 0.0254(7) Uani 1 1 d .
H8A H 0.5908 -0.1727 0.0667 0.031 Uiso 1 1 calc R
C9 C 0.51555(18) -0.2155(4) 0.09770(19) 0.0300(8) Uani 1 1 d .
H9A H 0.4944 -0.2656 0.0663 0.036 Uiso 1 1 calc R
C10 C 0.48884(18) -0.1986(4) 0.14310(19) 0.0295(8) Uani 1 1 d .
H10A H 0.4498 -0.2377 0.1431 0.035 Uiso 1 1 calc R
C11 C 0.51964(19) -0.1244(4) 0.18834(18) 0.0312(8) Uani 1 1 d .
H11A H 0.5014 -0.1118 0.2193 0.037 Uiso 1 1 calc R
C12 C 0.57725(17) -0.0678(4) 0.18883(17) 0.0255(7) Uani 1 1 d .
H12A H 0.5982 -0.0174 0.2202 0.031 Uiso 1 1 calc R
C13 C 0.73404(17) -0.1525(4) 0.16209(15) 0.0215(7) Uani 1 1 d .
C14 C 0.79783(18) -0.1294(4) 0.16755(19) 0.0297(8) Uani 1 1 d .
H14A H 0.8122 -0.0457 0.1616 0.036 Uiso 1 1 calc R
C15 C 0.84029(19) -0.2312(4) 0.1818(2) 0.0336(9) Uani 1 1 d .
H15A H 0.8835 -0.2182 0.1836 0.040 Uiso 1 1 calc R
C16 C 0.81960(17) -0.3470(4) 0.19298(19) 0.0327(9) Uani 1 1 d .
H16A H 0.8494 -0.4128 0.2068 0.039 Uiso 1 1 calc R
C17 C 0.7564(2) -0.3745(4) 0.1851(2) 0.0372(10) Uani 1 1 d .
H17A H 0.7427 -0.4596 0.1893 0.045 Uiso 1 1 calc R
C18 C 0.71379(19) -0.2750(4) 0.17077(19) 0.0303(9) Uani 1 1 d .
H18A H 0.6704 -0.2908 0.1669 0.036 Uiso 1 1 calc R
C19 C 0.56599(16) 0.2639(4) 0.10849(16) 0.0233(7) Uani 1 1 d .
C20 C 0.52698(18) 0.1662(4) 0.08084(19) 0.0312(9) Uani 1 1 d .
H20A H 0.5412 0.1106 0.0558 0.037 Uiso 1 1 calc R
C21 C 0.46707(19) 0.1496(5) 0.0898(2) 0.0450(13) Uani 1 1 d .
H21A H 0.4410 0.0819 0.0714 0.054 Uiso 1 1 calc R
C22 C 0.4459(2) 0.2314(6) 0.1254(2) 0.0498(15) Uani 1 1 d .
H22A H 0.4055 0.2194 0.1320 0.060 Uiso 1 1 calc R
C23 C 0.4835(2) 0.3308(6) 0.1514(2) 0.0455(13) Uani 1 1 d .
H23A H 0.4679 0.3879 0.1751 0.055 Uiso 1 1 calc R
C24 C 0.54435(18) 0.3504(4) 0.14402(17) 0.0293(8) Uani 1 1 d .
C25 C 0.64987(19) 0.4175(4) 0.06221(16) 0.0255(7) Uani 1 1 d .
C26 C 0.59326(19) 0.4790(4) 0.03455(19) 0.0297(8) Uani 1 1 d .
H26A H 0.5545 0.4491 0.0404 0.036 Uiso 1 1 calc R
C27 C 0.5940(2) 0.5828(4) -0.00104(19) 0.0325(9) Uani 1 1 d .
H27A H 0.5560 0.6241 -0.0194 0.039 Uiso 1 1 calc R
C28 C 0.6505(2) 0.6256(4) -0.00960(19) 0.0333(9) Uani 1 1 d .
H28A H 0.6510 0.6949 -0.0348 0.040 Uiso 1 1 calc R
C29 C 0.7059(2) 0.5691(4) 0.01791(18) 0.0324(9) Uani 1 1 d .
H29A H 0.7444 0.6028 0.0130 0.039 Uiso 1 1 calc R
C30 C 0.70687(19) 0.4622(4) 0.05322(17) 0.0265(8) Uani 1 1 d .
C31 C 0.5825(2) 0.4620(4) 0.17187(18) 0.0345(9) Uani 1 1 d .
H31A H 0.5590 0.5095 0.1945 0.052 Uiso 1 1 calc R
H31B H 0.5918 0.5189 0.1430 0.052 Uiso 1 1 calc R
H31C H 0.6219 0.4306 0.1963 0.052 Uiso 1 1 calc R
C32 C 0.76724(19) 0.3977(4) 0.07909(19) 0.0327(9) Uani 1 1 d .
H32A H 0.7597 0.3256 0.1023 0.049 Uiso 1 1 calc R
H32B H 0.7958 0.4592 0.1027 0.049 Uiso 1 1 calc R
H32C H 0.7861 0.3659 0.0493 0.049 Uiso 1 1 calc R
C33 C 0.15427(14) 0.2562(3) 0.08167(15) 0.0167(6) Uani 1 1 d .
C34 C 0.13019(15) 0.3790(3) 0.06254(14) 0.0174(6) Uani 1 1 d .
C35 C 0.11368(16) 0.4029(4) 0.00423(15) 0.0211(7) Uani 1 1 d .
H35A H 0.0959 0.4835 -0.0092 0.025 Uiso 1 1 calc R
C36 C 0.12271(18) 0.3116(4) -0.03416(16) 0.0247(7) Uani 1 1 d .
H36A H 0.1111 0.3296 -0.0734 0.030 Uiso 1 1 calc R
C37 C 0.14894(17) 0.1932(4) -0.01480(16) 0.0234(7) Uani 1 1 d .
H37A H 0.1568 0.1315 -0.0408 0.028 Uiso 1 1 calc R
C38 C 0.16365(16) 0.1651(3) 0.04249(15) 0.0209(7) Uani 1 1 d .
H38A H 0.1803 0.0831 0.0552 0.025 Uiso 1 1 calc R
C39 C 0.09646(15) 0.1544(3) 0.16471(14) 0.0172(6) Uani 1 1 d .
C40 C 0.06242(16) 0.0667(3) 0.12532(15) 0.0200(7) Uani 1 1 d .
H40A H 0.0779 0.0413 0.0940 0.024 Uiso 1 1 calc R
C41 C 0.00603(17) 0.0170(4) 0.13209(17) 0.0238(7) Uani 1 1 d .
H41A H -0.0165 -0.0440 0.1059 0.029 Uiso 1 1 calc R
C42 C -0.01747(17) 0.0567(4) 0.17737(17) 0.0252(7) Uani 1 1 d .
H42A H -0.0564 0.0237 0.1815 0.030 Uiso 1 1 calc R
C43 C 0.01555(17) 0.1439(4) 0.21638(16) 0.0249(7) Uani 1 1 d .
H43A H -0.0005 0.1703 0.2473 0.030 Uiso 1 1 calc R
C44 C 0.07248(16) 0.1928(4) 0.21004(15) 0.0204(7) Uani 1 1 d .
H44A H 0.0951 0.2526 0.2367 0.025 Uiso 1 1 calc R
C45 C 0.22430(15) 0.0854(3) 0.16765(14) 0.0177(6) Uani 1 1 d .
C46 C 0.28785(16) 0.1094(4) 0.17126(16) 0.0227(7) Uani 1 1 d .
H46A H 0.3017 0.1947 0.1675 0.027 Uiso 1 1 calc R
C47 C 0.33058(17) 0.0090(4) 0.18026(17) 0.0251(8) Uani 1 1 d .
H47A H 0.3735 0.0260 0.1823 0.030 Uiso 1 1 calc R
C48 C 0.31138(17) -0.1163(4) 0.18636(16) 0.0241(7) Uani 1 1 d .
H48A H 0.3408 -0.1847 0.1924 0.029 Uiso 1 1 calc R
C49 C 0.24877(19) -0.1400(4) 0.18345(16) 0.0266(8) Uani 1 1 d .
H49A H 0.2353 -0.2254 0.1878 0.032 Uiso 1 1 calc R
C50 C 0.20526(17) -0.0404(4) 0.17430(16) 0.0230(7) Uani 1 1 d .
H50A H 0.1625 -0.0581 0.1726 0.028 Uiso 1 1 calc R
C51 C 0.04932(15) 0.4886(3) 0.12827(15) 0.0169(6) Uani 1 1 d .
C52 C 0.00872(15) 0.3915(3) 0.10196(14) 0.0187(6) Uani 1 1 d .
H52A H 0.0198 0.3395 0.0740 0.022 Uiso 1 1 calc R
C53 C -0.04784(16) 0.3705(4) 0.11643(16) 0.0240(7) Uani 1 1 d .
H53A H -0.0758 0.3056 0.0979 0.029 Uiso 1 1 calc R
C54 C -0.06299(17) 0.4445(4) 0.15785(18) 0.0264(8) Uani 1 1 d .
H54A H -0.1006 0.4281 0.1692 0.032 Uiso 1 1 calc R
C55 C -0.02317(17) 0.5434(4) 0.18315(16) 0.0253(7) Uani 1 1 d .
H55A H -0.0347 0.5950 0.2110 0.030 Uiso 1 1 calc R
C56 C 0.03322(16) 0.5687(3) 0.16863(15) 0.0190(6) Uani 1 1 d .
C57 C 0.11666(17) 0.6507(3) 0.06999(15) 0.0207(7) Uani 1 1 d .
C58 C 0.05760(18) 0.7079(4) 0.05192(16) 0.0241(7) Uani 1 1 d .
H58A H 0.0230 0.6730 0.0638 0.029 Uiso 1 1 calc R
C59 C 0.04869(19) 0.8148(4) 0.01699(17) 0.0279(8) Uani 1 1 d .
H59A H 0.0083 0.8526 0.0050 0.033 Uiso 1 1 calc R
C60 C 0.0987(2) 0.8657(4) -0.00027(17) 0.0308(8) Uani 1 1 d .
H60A H 0.0928 0.9387 -0.0243 0.037 Uiso 1 1 calc R
C61 C 0.1576(2) 0.8109(4) 0.01738(17) 0.0298(8) Uani 1 1 d .
H61A H 0.1918 0.8473 0.0054 0.036 Uiso 1 1 calc R
C62 C 0.16782(18) 0.7030(4) 0.05245(16) 0.0250(7) Uani 1 1 d .
C63 C 0.07132(17) 0.6834(4) 0.19393(16) 0.0239(7) Uani 1 1 d .
H63A H 0.0514 0.7250 0.2210 0.036 Uiso 1 1 calc R
H63B H 0.0737 0.7443 0.1640 0.036 Uiso 1 1 calc R
H63C H 0.1137 0.6555 0.2133 0.036 Uiso 1 1 calc R
C64 C 0.23170(17) 0.6428(4) 0.06918(17) 0.0269(8) Uani 1 1 d .
H64A H 0.2610 0.6925 0.0531 0.040 Uiso 1 1 calc R
H64B H 0.2295 0.5544 0.0550 0.040 Uiso 1 1 calc R
H64C H 0.2463 0.6422 0.1104 0.040 Uiso 1 1 calc R
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'
P P 0.2955 0.4335 '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'
I I -0.3257 6.8362 '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 P2 87.51(3) . .
P1 Cu1 I1 116.68(3) . .
P2 Cu1 I1 118.45(3) . .
P1 Cu1 I1 113.63(3) . 2_655
P2 Cu1 I1 119.14(3) . 2_655
I1 Cu1 I1 102.041(18) . 2_655
P1 Cu1 Cu1 116.48(3) . 2_655
P2 Cu1 Cu1 156.00(2) . 2_655
I1 Cu1 Cu1 53.204(15) . 2_655
I1 Cu1 Cu1 52.391(14) 2_655 2_655
P3 Cu2 P4 87.22(3) . .
P3 Cu2 I2 118.32(3) . .
P4 Cu2 I2 118.02(3) . .
P3 Cu2 I2 113.96(3) . 2
P4 Cu2 I2 117.42(3) . 2
I2 Cu2 I2 102.509(17) . 2
P3 Cu2 Cu2 114.32(2) . 2
P4 Cu2 Cu2 158.41(2) . 2
I2 Cu2 Cu2 54.161(15) . 2
I2 Cu2 Cu2 54.010(14) 2 2
Cu1 I1 Cu1 74.405(18) . 2_655
Cu1 I1 I1 39.230(11) . 2_655
Cu1 I1 I1 38.730(12) 2_655 2_655
Cu2 I2 Cu2 71.829(18) . 2
Cu2 I2 I2 38.790(11) . 2
Cu2 I2 I2 38.701(11) 2 2
C1 P1 C13 103.90(17) . .
C1 P1 C7 102.74(16) . .
C13 P1 C7 103.05(16) . .
C1 P1 Cu1 100.98(12) . .
C13 P1 Cu1 122.84(12) . .
C7 P1 Cu1 120.27(12) . .
C19 P2 C25 103.16(18) . .
C19 P2 C2 105.94(17) . .
C25 P2 C2 100.02(17) . .
C19 P2 Cu1 106.11(12) . .
C25 P2 Cu1 137.92(13) . .
C2 P2 Cu1 100.23(12) . .
C45 P3 C39 103.79(15) . .
C45 P3 C33 104.13(15) . .
C39 P3 C33 101.89(15) . .
C45 P3 Cu2 124.03(11) . .
C39 P3 Cu2 118.65(11) . .
C33 P3 Cu2 101.06(11) . .
C51 P4 C34 104.71(15) . .
C51 P4 C57 101.56(16) . .
C34 P4 C57 101.57(16) . .
C51 P4 Cu2 106.25(11) . .
C34 P4 Cu2 100.21(11) . .
C57 P4 Cu2 138.68(12) . .
C6 C1 C2 119.6(3) . .
C6 C1 P1 122.7(3) . .
C2 C1 P1 117.7(3) . .
C3 C2 C1 118.6(3) . .
C3 C2 P2 121.7(3) . .
C1 C2 P2 119.4(3) . .
C4 C3 C2 120.9(4) . .
C3 C4 C5 120.6(4) . .
C4 C5 C6 119.4(4) . .
C5 C6 C1 120.8(4) . .
C12 C7 C8 119.3(3) . .
C12 C7 P1 118.5(3) . .
C8 C7 P1 122.1(3) . .
C9 C8 C7 120.3(4) . .
C8 C9 C10 120.5(4) . .
C11 C10 C9 119.4(4) . .
C10 C11 C12 120.6(4) . .
C7 C12 C11 120.0(4) . .
C18 C13 C14 119.8(4) . .
C18 C13 P1 122.9(3) . .
C14 C13 P1 117.2(3) . .
C13 C14 C15 119.2(4) . .
C16 C15 C14 119.5(4) . .
C15 C16 C17 122.4(4) . .
C18 C17 C16 118.4(4) . .
C17 C18 C13 120.3(4) . .
C20 C19 C24 120.2(4) . .
C20 C19 P2 120.4(3) . .
C24 C19 P2 119.1(3) . .
C19 C20 C21 120.4(5) . .
C22 C21 C20 119.9(5) . .
C21 C22 C23 119.9(4) . .
C22 C23 C24 122.0(5) . .
C23 C24 C19 117.4(4) . .
C23 C24 C31 120.0(4) . .
C19 C24 C31 122.6(3) . .
C30 C25 C26 119.3(4) . .
C30 C25 P2 120.5(3) . .
C26 C25 P2 120.0(3) . .
C27 C26 C25 120.4(4) . .
C28 C27 C26 119.6(4) . .
C29 C28 C27 120.7(4) . .
C28 C29 C30 121.2(4) . .
C25 C30 C29 118.6(4) . .
C25 C30 C32 121.6(4) . .
C29 C30 C32 119.8(4) . .
C38 C33 C34 119.4(3) . .
C38 C33 P3 122.7(3) . .
C34 C33 P3 117.9(3) . .
C35 C34 C33 118.5(3) . .
C35 C34 P4 122.0(3) . .
C33 C34 P4 119.4(3) . .
C36 C35 C34 121.6(3) . .
C35 C36 C37 119.5(3) . .
C38 C37 C36 120.3(3) . .
C37 C38 C33 120.7(3) . .
C44 C39 C40 119.3(3) . .
C44 C39 P3 118.8(3) . .
C40 C39 P3 121.9(3) . .
C41 C40 C39 120.1(3) . .
C40 C41 C42 119.9(3) . .
C43 C42 C41 120.4(3) . .
C42 C43 C44 119.7(4) . .
C43 C44 C39 120.5(3) . .
C50 C45 C46 118.9(3) . .
C50 C45 P3 123.4(3) . .
C46 C45 P3 117.7(3) . .
C47 C46 C45 120.2(3) . .
C46 C47 C48 120.8(3) . .
C49 C48 C47 119.1(3) . .
C48 C49 C50 120.8(4) . .
C49 C50 C45 120.2(3) . .
C52 C51 C56 120.7(3) . .
C52 C51 P4 120.3(3) . .
C56 C51 P4 118.8(3) . .
C53 C52 C51 120.5(3) . .
C54 C53 C52 119.4(3) . .
C53 C54 C55 120.1(3) . .
C54 C55 C56 121.8(4) . .
C55 C56 C51 117.4(3) . .
C55 C56 C63 119.1(3) . .
C51 C56 C63 123.4(3) . .
C58 C57 C62 119.3(3) . .
C58 C57 P4 120.5(3) . .
C62 C57 P4 120.2(3) . .
C59 C58 C57 121.1(4) . .
C60 C59 C58 119.6(4) . .
C59 C60 C61 120.2(4) . .
C60 C61 C62 121.3(4) . .
C61 C62 C57 118.5(4) . .
C61 C62 C64 120.1(4) . .
C57 C62 C64 121.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 P1 2.2697(10) .
Cu1 P2 2.3267(10) .
Cu1 I1 2.6114(6) .
Cu1 I1 2.6397(5) 2_655
Cu1 Cu1 3.1751(10) 2_655
Cu2 P3 2.2761(9) .
Cu2 P4 2.3450(9) .
Cu2 I2 2.6428(5) .
Cu2 I2 2.6479(5) 2
Cu2 Cu2 3.1034(9) 2
I1 Cu1 2.6397(5) 2_655
I1 I1 4.0821(4) 2_655
I2 Cu2 2.6479(5) 2
I2 I2 4.1264(4) 2
P1 C1 1.829(4) .
P1 C13 1.831(4) .
P1 C7 1.836(3) .
P2 C19 1.826(4) .
P2 C25 1.843(4) .
P2 C2 1.844(4) .
P3 C45 1.833(3) .
P3 C39 1.836(3) .
P3 C33 1.836(4) .
P4 C51 1.831(3) .
P4 C34 1.839(4) .
P4 C57 1.844(4) .
C1 C6 1.397(5) .
C1 C2 1.412(5) .
C2 C3 1.403(5) .
C3 C4 1.385(6) .
C4 C5 1.386(6) .
C5 C6 1.396(5) .
C7 C12 1.389(5) .
C7 C8 1.396(5) .
C8 C9 1.384(5) .
C9 C10 1.389(6) .
C10 C11 1.383(6) .
C11 C12 1.395(5) .
C13 C18 1.384(6) .
C13 C14 1.397(5) .
C14 C15 1.399(6) .
C15 C16 1.340(7) .
C16 C17 1.386(6) .
C17 C18 1.383(6) .
C19 C20 1.394(6) .
C19 C24 1.412(6) .
C20 C21 1.399(6) .
C21 C22 1.378(9) .
C22 C23 1.379(9) .
C23 C24 1.409(6) .
C24 C31 1.496(7) .
C25 C30 1.404(6) .
C25 C26 1.416(6) .
C26 C27 1.390(6) .
C27 C28 1.384(6) .
C28 C29 1.372(6) .
C29 C30 1.405(6) .
C30 C32 1.484(6) .
C33 C38 1.399(5) .
C33 C34 1.419(5) .
C34 C35 1.405(5) .
C35 C36 1.383(5) .
C36 C37 1.393(6) .
C37 C38 1.390(5) .
C39 C44 1.397(5) .
C39 C40 1.403(5) .
C40 C41 1.391(5) .
C41 C42 1.395(6) .
C42 C43 1.387(6) .
C43 C44 1.395(5) .
C45 C50 1.396(5) .
C45 C46 1.401(5) .
C46 C47 1.387(5) .
C47 C48 1.390(6) .
C48 C49 1.384(6) .
C49 C50 1.391(5) .
C51 C52 1.397(5) .
C51 C56 1.402(5) .
C52 C53 1.392(5) .
C53 C54 1.377(6) .
C54 C55 1.395(6) .
C55 C56 1.396(5) .
C56 C63 1.502(5) .
C57 C58 1.399(5) .
C57 C62 1.408(5) .
C58 C59 1.387(5) .
C59 C60 1.378(6) .
C60 C61 1.385(6) .
C61 C62 1.397(5) .
C62 C64 1.501(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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
I1 Cu1 Cu1 I1 -154.83(3) . 2_655 2_655
I1 Cu1 Cu1 I1 154.83(3) 2_655 . 2_655
I2 Cu2 Cu2 I2 -148.73(3) . 2 2
I2 Cu2 Cu2 I2 148.73(3) 2 . 2
