#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:48:05 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179514 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/11/4341120.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_4341120
loop_
_publ_author_name
'Yang, Xiang-Yuan'
'Li, Yongxin'
'Pullarkat, Sumod A.'
_publ_section_title
;
 A one-pot diastereoselective self assembly of C-stereogenic copper(i)
 diphosphine clusters.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10232
_journal_page_last               10239
_journal_paper_doi               10.1021/ic501233w
_journal_volume                  53
_journal_year                    2014
_chemical_absolute_configuration ad
_chemical_formula_sum            'C142 H152 Cl38 Cu6 O24 P6'
_chemical_formula_weight         4156.80
_space_group_crystal_system      trigonal
_space_group_IT_number           146
_space_group_name_Hall           'R 3'
_space_group_name_H-M_alt        'R 3'
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   29.118(3)
_cell_length_b                   29.118(3)
_cell_length_c                   16.8751(14)
_cell_measurement_reflns_used    5926
_cell_measurement_temperature    153.(2)
_cell_measurement_theta_max      20.7778
_cell_measurement_theta_min      2.7982
_cell_volume                     12391(2)
_computing_cell_refinement       'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_data_collection       'Bruker Apex2'
_computing_data_reduction        'SAINT V8.27B (Bruker AXS Inc., 2012)'
_computing_molecular_graphics    'Bruker Apex2'
_computing_publication_material  'Bruker Apex2'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      153.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1246
_diffrn_reflns_av_sigmaI/netI    0.1455
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            77824
_diffrn_reflns_theta_full        29.68
_diffrn_reflns_theta_max         29.68
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    1.497
_exptl_absorpt_correction_T_max  0.77
_exptl_absorpt_correction_T_min  0.61
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6318
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         0.645
_refine_diff_density_min         -1.841
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.13(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     836
_refine_ls_number_reflns         15493
_refine_ls_number_restraints     2470
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.1317
_refine_ls_R_factor_gt           0.0826
_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)+(0.1236P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2082
_refine_ls_wR_factor_ref         0.2272
_reflns_number_gt                8256
_reflns_number_total             15493
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501233w_si_007.cif
_cod_data_source_block           I
_cod_depositor_comments
'Adding full bibliography for 4341116--4341121.cif.'
_cod_original_cell_volume        12390.8(18)
_cod_database_code               4341120
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu1 0.27995(3) 0.71227(3) 0.00009(4) 0.0305(2) Uani d U 1.0 . .
Cu Cu2 0.38660(3) 0.76574(3) 0.11866(4) 0.0316(2) Uani d U 1.0 . .
C C1 0.1880(3) 0.7536(3) 0.0131(4) 0.038(2) Uani d PGDU 0.541(4) A 1
C C2 0.1965(3) 0.7581(4) 0.0945(5) 0.042(3) Uani d PGDU 0.541(4) A 1
H H2 0.2282 0.7615 0.1157 0.051 Uiso calc PR 0.541(4) A 1
C C3 0.1584(4) 0.7577(4) 0.1448(4) 0.048(3) Uani d PGDU 0.541(4) A 1
H H3 0.1642 0.7608 0.2005 0.058 Uiso calc PR 0.541(4) A 1
C C4 0.1120(3) 0.7527(4) 0.1138(5) 0.056(3) Uani d PGDU 0.541(4) A 1
H H4 0.086 0.7524 0.1482 0.067 Uiso calc PR 0.541(4) A 1
C C5 0.1035(3) 0.7482(4) 0.0324(5) 0.056(3) Uani d PGDU 0.541(4) A 1
H H5 0.0717 0.7448 0.0112 0.067 Uiso calc PR 0.541(4) A 1
C C6 0.1415(3) 0.7487(4) -0.0180(4) 0.046(3) Uani d PGDU 0.541(4) A 1
H H6 0.1357 0.7456 -0.0736 0.055 Uiso calc PR 0.541(4) A 1
C C7 0.2032(5) 0.7216(6) -0.1394(6) 0.039(3) Uani d PGDU 0.541(4) A 1
C C8 0.1844(7) 0.6678(6) -0.1504(8) 0.059(4) Uani d PGDU 0.541(4) A 1
H H8 0.1916 0.6484 -0.1121 0.071 Uiso calc PR 0.541(4) A 1
C C9 0.1549(6) 0.6424(4) -0.2176(9) 0.064(4) Uani d PGDU 0.541(4) A 1
H H9 0.1421 0.6056 -0.2251 0.077 Uiso calc PR 0.541(4) A 1
C C10 0.1443(5) 0.6709(5) -0.2737(6) 0.067(4) Uani d PGDU 0.541(4) A 1
H H10 0.1242 0.6535 -0.3195 0.08 Uiso calc PR 0.541(4) A 1
C C11 0.1631(5) 0.7247(5) -0.2626(6) 0.061(4) Uani d PGDU 0.541(4) A 1
H H11 0.1559 0.7441 -0.3009 0.073 Uiso calc PR 0.541(4) A 1
C C12 0.1926(4) 0.7501(4) -0.1954(7) 0.047(3) Uani d PGDU 0.541(4) A 1
H H12 0.2055 0.7869 -0.1879 0.057 Uiso calc PR 0.541(4) A 1
C C13 0.2831(5) 0.8241(4) -0.0770(7) 0.034(2) Uani d PDU 0.541(4) A 1
H H13 0.2616 0.836 -0.1079 0.041 Uiso calc PR 0.541(4) A 1
C C14 0.3328(6) 0.8325(5) -0.1294(8) 0.039(2) Uani d PDU 0.541(4) A 1
H H14 0.3552 0.8223 -0.0972 0.047 Uiso calc PR 0.541(4) A 1
C C15 0.3131(8) 0.7969(6) -0.2055(9) 0.041(3) Uani d PDU 0.541(4) A 1
C C16 0.3038(10) 0.7189(8) -0.2578(13) 0.071(6) Uani d PDU 0.541(4) A 1
H H16A 0.2795 0.723 -0.2932 0.107 Uiso calc PR 0.541(4) A 1
H H16B 0.2869 0.6822 -0.2387 0.107 Uiso calc PR 0.541(4) A 1
H H16C 0.3363 0.7273 -0.2867 0.107 Uiso calc PR 0.541(4) A 1
C C17 0.3648(6) 0.8888(6) -0.1522(9) 0.060(3) Uani d PDU 0.541(4) A 1
C C18 0.3875(8) 0.9766(6) -0.1750(15) 0.107(7) Uani d PDU 0.541(4) A 1
H H18A 0.4183 0.978 -0.2007 0.161 Uiso calc PR 0.541(4) A 1
H H18B 0.3985 0.9963 -0.125 0.161 Uiso calc PR 0.541(4) A 1
H H18C 0.3724 0.9926 -0.21 0.161 Uiso calc PR 0.541(4) A 1
C C19 0.3041(4) 0.8577(4) -0.0004(5) 0.042(2) Uani d PGDU 0.541(4) A 1
C C20 0.2916(4) 0.8977(4) 0.0085(5) 0.045(3) Uani d PGDU 0.541(4) A 1
H H20 0.2725 0.9037 -0.0318 0.054 Uiso calc PR 0.541(4) A 1
C C21 0.3073(4) 0.9289(3) 0.0764(5) 0.048(3) Uani d PGDU 0.541(4) A 1
H H21 0.2988 0.9563 0.0825 0.058 Uiso calc PR 0.541(4) A 1
C C22 0.3353(4) 0.9201(3) 0.1354(4) 0.039(2) Uani d PGDU 0.541(4) A 1
H H22 0.346 0.9415 0.1818 0.046 Uiso calc PR 0.541(4) A 1
C C23 0.3478(4) 0.8801(4) 0.1265(5) 0.036(2) Uani d PGDU 0.541(4) A 1
C C24 0.3321(5) 0.8489(4) 0.0586(6) 0.036(3) Uani d PGDU 0.541(4) A 1
H H24 0.3406 0.8216 0.0525 0.043 Uiso calc PR 0.541(4) A 1
C C25 0.3744(5) 0.8653(7) 0.1946(7) 0.035(2) Uani d PDU 0.541(4) A 1
H H25 0.3942 0.8984 0.2269 0.042 Uiso calc PR 0.541(4) A 1
C C26 0.3283(7) 0.8251(7) 0.2496(9) 0.043(3) Uani d PDU 0.541(4) A 1
H H26 0.3043 0.7919 0.2198 0.052 Uiso calc PR 0.541(4) A 1
C C27 0.3553(12) 0.8115(9) 0.3267(10) 0.048(3) Uani d PDU 0.541(4) A 1
C C28 0.3803(9) 0.7552(7) 0.3760(12) 0.073(5) Uani d PDU 0.541(4) A 1
H H28A 0.4019 0.7854 0.4108 0.11 Uiso calc PR 0.541(4) A 1
H H28B 0.4013 0.7394 0.3582 0.11 Uiso calc PR 0.541(4) A 1
H H28C 0.3491 0.7287 0.405 0.11 Uiso calc PR 0.541(4) A 1
C C29 0.2959(6) 0.8456(6) 0.2933(7) 0.055(3) Uani d PDU 0.541(4) A 1
C C30 0.2918(8) 0.9121(7) 0.3596(10) 0.075(5) Uani d PDU 0.541(4) A 1
H H30A 0.266 0.9125 0.3226 0.113 Uiso calc PR 0.541(4) A 1
H H30B 0.3138 0.9477 0.3818 0.113 Uiso calc PR 0.541(4) A 1
H H30C 0.273 0.887 0.4025 0.113 Uiso calc PR 0.541(4) A 1
C C31 0.4662(3) 0.8603(4) 0.2538(5) 0.047(3) Uani d PGDU 0.541(4) A 1
C C32 0.4903(5) 0.8295(5) 0.2543(6) 0.050(3) Uani d PGDU 0.541(4) A 1
H H32 0.4851 0.8064 0.2112 0.059 Uiso calc PR 0.541(4) A 1
C C33 0.5221(6) 0.8325(5) 0.3178(7) 0.061(3) Uani d PGDU 0.541(4) A 1
H H33 0.5386 0.8114 0.3181 0.073 Uiso calc PR 0.541(4) A 1
C C34 0.5298(4) 0.8663(5) 0.3808(6) 0.071(4) Uani d PGDU 0.541(4) A 1
H H34 0.5515 0.8684 0.4242 0.085 Uiso calc PR 0.541(4) A 1
C C35 0.5056(5) 0.8972(5) 0.3803(6) 0.068(4) Uani d PGDU 0.541(4) A 1
H H35 0.5108 0.9203 0.4234 0.081 Uiso calc PR 0.541(4) A 1
C C36 0.4738(4) 0.8942(5) 0.3168(7) 0.057(3) Uani d PGDU 0.541(4) A 1
H H36 0.4573 0.9152 0.3165 0.069 Uiso calc PR 0.541(4) A 1
C C37 0.4689(3) 0.9019(3) 0.0994(4) 0.043(3) Uani d PGDU 0.541(4) A 1
C C38 0.4953(4) 0.8890(3) 0.0428(6) 0.054(3) Uani d PGDU 0.541(4) A 1
H H38 0.4892 0.8538 0.0396 0.065 Uiso calc PR 0.541(4) A 1
C C39 0.5306(4) 0.9275(4) -0.0092(5) 0.050(3) Uani d PGDU 0.541(4) A 1
H H39 0.5486 0.9187 -0.0478 0.06 Uiso calc PR 0.541(4) A 1
C C40 0.5394(3) 0.9790(3) -0.0045(5) 0.060(4) Uani d PGDU 0.541(4) A 1
H H40 0.5636 1.0054 -0.0401 0.072 Uiso calc PR 0.541(4) A 1
C C41 0.5130(4) 0.9919(3) 0.0520(6) 0.051(3) Uani d PGDU 0.541(4) A 1
H H41 0.5191 1.0271 0.0552 0.061 Uiso calc PR 0.541(4) A 1
C C42 0.4778(3) 0.9533(3) 0.1040(5) 0.049(3) Uani d PGDU 0.541(4) A 1
H H42 0.4597 0.9622 0.1427 0.059 Uiso calc PR 0.541(4) A 1
O O1 0.3172(7) 0.7552(5) -0.1896(9) 0.055(4) Uani d PDU 0.541(4) A 1
O O2 0.2995(9) 0.8133(9) -0.2622(11) 0.081(6) Uani d PDU 0.541(4) A 1
O O3 0.3466(5) 0.9201(4) -0.1588(8) 0.067(3) Uani d PDU 0.541(4) A 1
O O4 0.4132(6) 0.9007(7) -0.1806(10) 0.068(4) Uani d PDU 0.541(4) A 1
O O5 0.3629(7) 0.7739(7) 0.3058(10) 0.051(3) Uani d PDU 0.541(4) A 1
O O6 0.3685(7) 0.8414(8) 0.3811(10) 0.067(4) Uani d PDU 0.541(4) A 1
O O7 0.3265(5) 0.8956(5) 0.3163(7) 0.064(3) Uani d PDU 0.541(4) A 1
O O8 0.2502(6) 0.8173(8) 0.3030(12) 0.070(5) Uani d PDU 0.541(4) A 1
C C1A 0.2036(4) 0.7707(4) 0.0285(6) 0.039(3) Uani d PGDU 0.459(4) A 2
C C2A 0.1919(4) 0.8113(4) 0.0214(6) 0.046(3) Uani d PGDU 0.459(4) A 2
H H2A 0.2111 0.8394 -0.0149 0.055 Uiso calc PR 0.459(4) A 2
C C3A 0.1520(4) 0.8107(4) 0.0676(7) 0.053(3) Uani d PGDU 0.459(4) A 2
H H3A 0.144 0.8385 0.0628 0.064 Uiso calc PR 0.459(4) A 2
C C4A 0.1239(4) 0.7695(5) 0.1208(7) 0.053(3) Uani d PGDU 0.459(4) A 2
H H4A 0.0967 0.7691 0.1524 0.063 Uiso calc PR 0.459(4) A 2
C C5A 0.1357(4) 0.7289(4) 0.1278(6) 0.048(3) Uani d PGDU 0.459(4) A 2
H H5A 0.1164 0.7008 0.1642 0.057 Uiso calc PR 0.459(4) A 2
C C6A 0.1755(4) 0.7295(4) 0.0817(6) 0.045(3) Uani d PGDU 0.459(4) A 2
H H6A 0.1835 0.7017 0.0865 0.054 Uiso calc PR 0.459(4) A 2
C C7A 0.1954(6) 0.7270(6) -0.1301(8) 0.038(3) Uani d PGDU 0.459(4) A 2
C C8A 0.1773(7) 0.6736(6) -0.1440(9) 0.044(3) Uani d PGDU 0.459(4) A 2
H H8A 0.1889 0.6548 -0.1112 0.053 Uiso calc PR 0.459(4) A 2
C C9A 0.1422(6) 0.6476(5) -0.2058(10) 0.054(4) Uani d PGDU 0.459(4) A 2
H H9A 0.1298 0.6111 -0.2153 0.064 Uiso calc PR 0.459(4) A 2
C C10A 0.1252(5) 0.6751(6) -0.2537(8) 0.059(4) Uani d PGDU 0.459(4) A 2
H H10A 0.1013 0.6574 -0.296 0.071 Uiso calc PR 0.459(4) A 2
C C11A 0.1434(6) 0.7285(6) -0.2398(8) 0.064(4) Uani d PGDU 0.459(4) A 2
H H11A 0.1318 0.7473 -0.2726 0.076 Uiso calc PR 0.459(4) A 2
C C12A 0.1785(5) 0.7545(5) -0.1780(9) 0.052(4) Uani d PGDU 0.459(4) A 2
H H12A 0.1909 0.791 -0.1685 0.063 Uiso calc PR 0.459(4) A 2
C C13A 0.2926(6) 0.8234(5) -0.0759(9) 0.041(3) Uani d PDU 0.459(4) A 2
H H13A 0.274 0.8365 -0.1112 0.05 Uiso calc PR 0.459(4) A 2
C C14A 0.3413(8) 0.8276(6) -0.1288(10) 0.056(4) Uani d PDU 0.459(4) A 2
H H14A 0.3667 0.8218 -0.0965 0.067 Uiso calc PR 0.459(4) A 2
C C15A 0.3191(11) 0.7889(8) -0.2026(12) 0.055(4) Uani d PDU 0.459(4) A 2
C C16A 0.2838(10) 0.7034(7) -0.2450(12) 0.048(5) Uani d PDU 0.459(4) A 2
H H16D 0.2482 0.6963 -0.2589 0.072 Uiso calc PR 0.459(4) A 2
H H16E 0.2822 0.6701 -0.2294 0.072 Uiso calc PR 0.459(4) A 2
H H16F 0.3074 0.7185 -0.2908 0.072 Uiso calc PR 0.459(4) A 2
C C17A 0.3672(7) 0.8812(6) -0.1670(10) 0.061(4) Uani d PDU 0.459(4) A 2
C C18A 0.3758(9) 0.9536(7) -0.2417(13) 0.080(6) Uani d PDU 0.459(4) A 2
H H18D 0.4125 0.9612 -0.2445 0.12 Uiso calc PR 0.459(4) A 2
H H18E 0.3743 0.9816 -0.2116 0.12 Uiso calc PR 0.459(4) A 2
H H18F 0.3623 0.9521 -0.2955 0.12 Uiso calc PR 0.459(4) A 2
C C19A 0.3177(5) 0.8657(4) -0.0079(6) 0.043(3) Uani d PGDU 0.459(4) A 2
C C20A 0.3299(5) 0.9181(4) -0.0168(5) 0.042(3) Uani d PGDU 0.459(4) A 2
H H20A 0.3185 0.9285 -0.0627 0.051 Uiso calc PR 0.459(4) A 2
C C21A 0.3586(4) 0.9552(3) 0.0416(6) 0.048(3) Uani d PGDU 0.459(4) A 2
H H21A 0.3669 0.9909 0.0355 0.058 Uiso calc PR 0.459(4) A 2
C C22A 0.3752(4) 0.9399(4) 0.1088(5) 0.040(3) Uani d PGDU 0.459(4) A 2
H H22A 0.3949 0.9653 0.1486 0.048 Uiso calc PR 0.459(4) A 2
C C23A 0.3631(5) 0.8876(4) 0.1176(6) 0.041(3) Uani d PGDU 0.459(4) A 2
C C24A 0.3343(6) 0.8505(3) 0.0593(8) 0.039(4) Uani d PGDU 0.459(4) A 2
H H24A 0.3261 0.8147 0.0654 0.046 Uiso calc PR 0.459(4) A 2
C C25A 0.3829(6) 0.8739(7) 0.1948(8) 0.035(3) Uani d PDU 0.459(4) A 2
H H25A 0.4041 0.9069 0.2266 0.042 Uiso calc PR 0.459(4) A 2
C C26A 0.3337(7) 0.8338(7) 0.2433(10) 0.040(3) Uani d PDU 0.459(4) A 2
H H26A 0.3126 0.8023 0.2086 0.048 Uiso calc PR 0.459(4) A 2
C C27A 0.3509(14) 0.8129(11) 0.3225(11) 0.049(3) Uani d PDU 0.459(4) A 2
C C28A 0.3388(12) 0.7369(9) 0.3750(14) 0.089(6) Uani d PDU 0.459(4) A 2
H H28D 0.3724 0.7429 0.3976 0.134 Uiso calc PR 0.459(4) A 2
H H28E 0.3166 0.6994 0.3611 0.134 Uiso calc PR 0.459(4) A 2
H H28F 0.3203 0.7467 0.4139 0.134 Uiso calc PR 0.459(4) A 2
C C29A 0.2973(7) 0.8545(7) 0.2681(10) 0.053(3) Uani d PDU 0.459(4) A 2
C C30A 0.2732(10) 0.9154(11) 0.2972(15) 0.100(7) Uani d PDU 0.459(4) A 2
H H30D 0.2649 0.9073 0.3536 0.15 Uiso calc PR 0.459(4) A 2
H H30E 0.242 0.8918 0.2654 0.15 Uiso calc PR 0.459(4) A 2
H H30F 0.2831 0.9523 0.2871 0.15 Uiso calc PR 0.459(4) A 2
C C31A 0.4670(5) 0.8575(6) 0.2529(7) 0.050(3) Uani d PGDU 0.459(4) A 2
C C32A 0.4839(7) 0.8229(5) 0.2779(8) 0.055(3) Uani d PGDU 0.459(4) A 2
H H32A 0.47 0.7891 0.2537 0.065 Uiso calc PR 0.459(4) A 2
C C33A 0.5211(7) 0.8378(6) 0.3384(9) 0.060(4) Uani d PGDU 0.459(4) A 2
H H33A 0.5326 0.8141 0.3555 0.072 Uiso calc PR 0.459(4) A 2
C C34A 0.5415(6) 0.8873(6) 0.3738(8) 0.072(4) Uani d PGDU 0.459(4) A 2
H H34A 0.5669 0.8974 0.4151 0.087 Uiso calc PR 0.459(4) A 2
C C35A 0.5246(6) 0.9219(5) 0.3487(8) 0.067(4) Uani d PGDU 0.459(4) A 2
H H35A 0.5385 0.9558 0.3729 0.081 Uiso calc PR 0.459(4) A 2
C C36A 0.4874(5) 0.9071(6) 0.2883(8) 0.057(4) Uani d PGDU 0.459(4) A 2
H H36A 0.4759 0.9307 0.2712 0.068 Uiso calc PR 0.459(4) A 2
C C37A 0.4787(4) 0.8980(4) 0.1051(6) 0.049(3) Uani d PGDU 0.459(4) A 2
C C38A 0.4704(4) 0.8935(4) 0.0236(6) 0.049(3) Uani d PGDU 0.459(4) A 2
H H38A 0.4395 0.864 0.0024 0.059 Uiso calc PR 0.459(4) A 2
C C39A 0.5072(5) 0.9322(4) -0.0267(5) 0.048(3) Uani d PGDU 0.459(4) A 2
H H39A 0.5015 0.9291 -0.0823 0.057 Uiso calc PR 0.459(4) A 2
C C40A 0.5524(4) 0.9754(4) 0.0045(6) 0.054(4) Uani d PGDU 0.459(4) A 2
H H40A 0.5776 1.0018 -0.0299 0.065 Uiso calc PR 0.459(4) A 2
C C41A 0.5607(4) 0.9798(4) 0.0859(6) 0.067(4) Uani d PGDU 0.459(4) A 2
H H41A 0.5916 1.0093 0.1072 0.08 Uiso calc PR 0.459(4) A 2
C C42A 0.5239(5) 0.9411(4) 0.1362(5) 0.053(4) Uani d PGDU 0.459(4) A 2
H H42A 0.5296 0.9442 0.1918 0.064 Uiso calc PR 0.459(4) A 2
O O1A 0.3048(7) 0.7416(6) -0.1776(10) 0.044(3) Uani d PDU 0.459(4) A 2
O O2A 0.3138(9) 0.8090(10) -0.2637(12) 0.058(4) Uani d PDU 0.459(4) A 2
O O3A 0.3421(5) 0.9010(5) -0.2011(9) 0.063(3) Uani d PDU 0.459(4) A 2
O O4A 0.4191(6) 0.9083(8) -0.1496(11) 0.057(4) Uani d PDU 0.459(4) A 2
O O5A 0.3498(9) 0.7701(8) 0.3021(12) 0.055(4) Uani d PDU 0.459(4) A 2
O O6A 0.3496(8) 0.8300(9) 0.3857(12) 0.068(5) Uani d PDU 0.459(4) A 2
O O7A 0.3196(5) 0.9069(6) 0.2746(9) 0.064(3) Uani d PDU 0.459(4) A 2
O O8A 0.2514(6) 0.8230(8) 0.2763(12) 0.052(4) Uani d PDU 0.459(4) A 2
Cl Cl1 0.24777(7) 0.62231(6) -0.02387(11) 0.0306(4) Uani d U 1.0 . .
Cl Cl2 0.41942(7) 0.70830(6) 0.14343(11) 0.0309(4) Uani d U 1.0 . .
P P1 0.24084(7) 0.75425(7) -0.04705(12) 0.0337(4) Uani d DU 1.0 . .
P P2 0.42534(7) 0.84705(7) 0.16506(11) 0.0329(4) Uani d DU 1.0 . .
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
P1 Cu1 Cl1 . . 122.23(7)
P1 Cu1 Cl1 . 3_565 116.93(7)
Cl1 Cu1 Cl1 . 3_565 103.39(8)
P1 Cu1 Cl2 . 2_665 118.78(7)
Cl1 Cu1 Cl2 . 2_665 97.83(6)
Cl1 Cu1 Cl2 3_565 2_665 92.20(6)
P1 Cu1 Cu2 . 2_665 127.02(6)
Cl1 Cu1 Cu2 . 2_665 51.65(5)
Cl1 Cu1 Cu2 3_565 2_665 114.98(5)
Cl2 Cu1 Cu2 2_665 2_665 48.90(4)
P2 Cu2 Cl2 . . 122.23(7)
P2 Cu2 Cl1 . 3_565 118.79(7)
Cl2 Cu2 Cl1 . 3_565 97.95(6)
P2 Cu2 Cl2 . 2_665 116.49(7)
Cl2 Cu2 Cl2 . 2_665 103.74(8)
Cl1 Cu2 Cl2 3_565 2_665 92.24(6)
P2 Cu2 Cu1 . 3_565 127.07(6)
Cl2 Cu2 Cu1 . 3_565 51.90(5)
Cl1 Cu2 Cu1 3_565 3_565 48.77(4)
Cl2 Cu2 Cu1 2_665 3_565 115.28(5)
C2 C1 C6 . . 120.0
C2 C1 P1 . . 115.9(5)
C6 C1 P1 . . 124.1(5)
C1 C2 C3 . . 120.0
C1 C2 H2 . . 120.0
C3 C2 H2 . . 120.0
C4 C3 C2 . . 120.0
C4 C3 H3 . . 120.0
C2 C3 H3 . . 120.0
C5 C4 C3 . . 120.0
C5 C4 H4 . . 120.0
C3 C4 H4 . . 120.0
C6 C5 C4 . . 120.0
C6 C5 H5 . . 120.0
C4 C5 H5 . . 120.0
C5 C6 C1 . . 120.0
C5 C6 H6 . . 120.0
C1 C6 H6 . . 120.0
C8 C7 C12 . . 120.0
C8 C7 P1 . . 119.1(8)
C12 C7 P1 . . 120.9(8)
C9 C8 C7 . . 120.0
C9 C8 H8 . . 120.0
C7 C8 H8 . . 120.0
C8 C9 C10 . . 120.0
C8 C9 H9 . . 120.0
C10 C9 H9 . . 120.0
C11 C10 C9 . . 120.0
C11 C10 H10 . . 120.0
C9 C10 H10 . . 120.0
C10 C11 C12 . . 120.0
C10 C11 H11 . . 120.0
C12 C11 H11 . . 120.0
C11 C12 C7 . . 120.0
C11 C12 H12 . . 120.0
C7 C12 H12 . . 120.0
C19 C13 C14 . . 108.8(9)
C19 C13 P1 . . 107.5(7)
C14 C13 P1 . . 111.8(9)
C19 C13 H13 . . 109.6
C14 C13 H13 . . 109.6
P1 C13 H13 . . 109.6
C17 C14 C15 . . 109.8(10)
C17 C14 C13 . . 109.3(10)
C15 C14 C13 . . 110.3(10)
C17 C14 H14 . . 109.1
C15 C14 H14 . . 109.1
C13 C14 H14 . . 109.1
O2 C15 O1 . . 136.3(15)
O2 C15 C14 . . 117.9(14)
O1 C15 C14 . . 105.8(11)
O1 C16 H16A . . 109.5
O1 C16 H16B . . 109.5
H16A C16 H16B . . 109.5
O1 C16 H16C . . 109.5
H16A C16 H16C . . 109.5
H16B C16 H16C . . 109.5
O3 C17 O4 . . 122.6(13)
O3 C17 C14 . . 124.3(13)
O4 C17 C14 . . 111.9(13)
O3 C18 H18A . . 109.5
O3 C18 H18B . . 109.5
H18A C18 H18B . . 109.5
O3 C18 H18C . . 109.5
H18A C18 H18C . . 109.5
H18B C18 H18C . . 109.5
C20 C19 C24 . . 120.0
C20 C19 C13 . . 115.7(7)
C24 C19 C13 . . 124.3(7)
C19 C20 C21 . . 120.0
C19 C20 H20 . . 120.0
C21 C20 H20 . . 120.0
C20 C21 C22 . . 120.0
C20 C21 H21 . . 120.0
C22 C21 H21 . . 120.0
C23 C22 C21 . . 120.0
C23 C22 H22 . . 120.0
C21 C22 H22 . . 120.0
C22 C23 C24 . . 120.0
C22 C23 C25 . . 121.6(7)
C24 C23 C25 . . 118.1(7)
C23 C24 C19 . . 120.0
C23 C24 H24 . . 120.0
C19 C24 H24 . . 120.0
C23 C25 C26 . . 106.4(9)
C23 C25 P2 . . 117.1(7)
C26 C25 P2 . . 116.6(9)
C23 C25 H25 . . 105.2
C26 C25 H25 . . 105.2
P2 C25 H25 . . 105.2
C29 C26 C25 . . 117.1(11)
C29 C26 C27 . . 100.0(9)
C25 C26 C27 . . 108.0(12)
C29 C26 H26 . . 110.4
C25 C26 H26 . . 110.4
C27 C26 H26 . . 110.4
O6 C27 O5 . . 135.5(16)
O6 C27 C26 . . 116.5(13)
O5 C27 C26 . . 107.1(11)
O5 C28 H28A . . 109.5
O5 C28 H28B . . 109.5
H28A C28 H28B . . 109.5
O5 C28 H28C . . 109.5
H28A C28 H28C . . 109.5
H28B C28 H28C . . 109.5
O8 C29 O7 . . 129.2(14)
O8 C29 C26 . . 119.7(14)
O7 C29 C26 . . 111.1(12)
O7 C30 H30A . . 109.5
O7 C30 H30B . . 109.5
H30A C30 H30B . . 109.5
O7 C30 H30C . . 109.5
H30A C30 H30C . . 109.5
H30B C30 H30C . . 109.5
C32 C31 C36 . . 120.0
C32 C31 P2 . . 110.7(7)
C36 C31 P2 . . 129.3(7)
C31 C32 C33 . . 120.0
C31 C32 H32 . . 120.0
C33 C32 H32 . . 120.0
C32 C33 C34 . . 120.0
C32 C33 H33 . . 120.0
C34 C33 H33 . . 120.0
C35 C34 C33 . . 120.0
C35 C34 H34 . . 120.0
C33 C34 H34 . . 120.0
C34 C35 C36 . . 120.0
C34 C35 H35 . . 120.0
C36 C35 H35 . . 120.0
C35 C36 C31 . . 120.0
C35 C36 H36 . . 120.0
C31 C36 H36 . . 120.0
C38 C37 C42 . . 120.0
C38 C37 P2 . . 114.5(5)
C42 C37 P2 . . 125.4(5)
C39 C38 C37 . . 120.0
C39 C38 H38 . . 120.0
C37 C38 H38 . . 120.0
C38 C39 C40 . . 120.0
C38 C39 H39 . . 120.0
C40 C39 H39 . . 120.0
C41 C40 C39 . . 120.0
C41 C40 H40 . . 120.0
C39 C40 H40 . . 120.0
C40 C41 C42 . . 120.0
C40 C41 H41 . . 120.0
C42 C41 H41 . . 120.0
C41 C42 C37 . . 120.0
C41 C42 H42 . . 120.0
C37 C42 H42 . . 120.0
C15 O1 C16 . . 113.1(13)
C17 O3 C18 . . 114.7(13)
C27 O5 C28 . . 109.3(12)
C29 O7 C30 . . 107.5(11)
C2A C1A C6A . . 120.0
C2A C1A P1 . . 125.2(6)
C6A C1A P1 . . 112.5(6)
C1A C2A C3A . . 120.0
C1A C2A H2A . . 120.0
C3A C2A H2A . . 120.0
C2A C3A C4A . . 120.0
C2A C3A H3A . . 120.0
C4A C3A H3A . . 120.0
C3A C4A C5A . . 120.0
C3A C4A H4A . . 120.0
C5A C4A H4A . . 120.0
C6A C5A C4A . . 120.0
C6A C5A H5A . . 120.0
C4A C5A H5A . . 120.0
C5A C6A C1A . . 120.0
C5A C6A H6A . . 120.0
C1A C6A H6A . . 120.0
C8A C7A C12A . . 120.0
C8A C7A P1 . . 113.9(9)
C12A C7A P1 . . 126.1(9)
C9A C8A C7A . . 120.0
C9A C8A H8A . . 120.0
C7A C8A H8A . . 120.0
C8A C9A C10A . . 120.0
C8A C9A H9A . . 120.0
C10A C9A H9A . . 120.0
C11A C10A C9A . . 120.0
C11A C10A H10A . . 120.0
C9A C10A H10A . . 120.0
C12A C11A C10A . . 120.0
C12A C11A H11A . . 120.0
C10A C11A H11A . . 120.0
C11A C12A C7A . . 120.0
C11A C12A H12A . . 120.0
C7A C12A H12A . . 120.0
C19A C13A C14A . . 107.2(11)
C19A C13A P1 . . 117.4(8)
C14A C13A P1 . . 115.2(11)
C19A C13A H13A . . 105.3
C14A C13A H13A . . 105.3
P1 C13A H13A . . 105.3
C17A C14A C15A . . 102.5(12)
C17A C14A C13A . . 106.3(12)
C15A C14A C13A . . 110.4(14)
C17A C14A H14A . . 112.4
C15A C14A H14A . . 112.4
C13A C14A H14A . . 112.4
O2A C15A O1A . . 136.7(17)
O2A C15A C14A . . 114.9(16)
O1A C15A C14A . . 107.6(14)
O1A C16A H16D . . 109.5
O1A C16A H16E . . 109.5
H16D C16A H16E . . 109.5
O1A C16A H16F . . 109.5
H16D C16A H16F . . 109.5
H16E C16A H16F . . 109.5
O3A C17A O4A . . 124.5(15)
O3A C17A C14A . . 124.2(15)
O4A C17A C14A . . 110.5(14)
O3A C18A H18D . . 109.5
O3A C18A H18E . . 109.5
H18D C18A H18E . . 109.5
O3A C18A H18F . . 109.5
H18D C18A H18F . . 109.5
H18E C18A H18F . . 109.5
C20A C19A C24A . . 120.0
C20A C19A C13A . . 123.0(8)
C24A C19A C13A . . 116.4(9)
C21A C20A C19A . . 120.0
C21A C20A H20A . . 120.0
C19A C20A H20A . . 120.0
C20A C21A C22A . . 120.0
C20A C21A H21A . . 120.0
C22A C21A H21A . . 120.0
C23A C22A C21A . . 120.0
C23A C22A H22A . . 120.0
C21A C22A H22A . . 120.0
C22A C23A C24A . . 120.0
C22A C23A C25A . . 116.6(8)
C24A C23A C25A . . 123.4(8)
C23A C24A C19A . . 120.0
C23A C24A H24A . . 120.0
C19A C24A H24A . . 120.0
C26A C25A C23A . . 108.2(11)
C26A C25A P2 . . 112.9(10)
C23A C25A P2 . . 107.2(8)
C26A C25A H25A . . 109.5
C23A C25A H25A . . 109.5
P2 C25A H25A . . 109.5
C29A C26A C25A . . 114.3(11)
C29A C26A C27A . . 108.9(12)
C25A C26A C27A . . 111.7(14)
C29A C26A H26A . . 107.2
C25A C26A H26A . . 107.2
C27A C26A H26A . . 107.2
O6A C27A O5A . . 131.3(19)
O6A C27A C26A . . 119.8(16)
O5A C27A C26A . . 106.2(13)
O5A C28A H28D . . 109.5
O5A C28A H28E . . 109.5
H28D C28A H28E . . 109.5
O5A C28A H28F . . 109.5
H28D C28A H28F . . 109.5
H28E C28A H28F . . 109.5
O8A C29A O7A . . 126.1(15)
O8A C29A C26A . . 117.7(15)
O7A C29A C26A . . 116.2(13)
O7A C30A H30D . . 109.5
O7A C30A H30E . . 109.5
H30D C30A H30E . . 109.5
O7A C30A H30F . . 109.5
H30D C30A H30F . . 109.5
H30E C30A H30F . . 109.5
C32A C31A C36A . . 120.0
C32A C31A P2 . . 124.5(9)
C36A C31A P2 . . 114.9(8)
C33A C32A C31A . . 120.0
C33A C32A H32A . . 120.0
C31A C32A H32A . . 120.0
C34A C33A C32A . . 120.0
C34A C33A H33A . . 120.0
C32A C33A H33A . . 120.0
C35A C34A C33A . . 120.0
C35A C34A H34A . . 120.0
C33A C34A H34A . . 120.0
C34A C35A C36A . . 120.0
C34A C35A H35A . . 120.0
C36A C35A H35A . . 120.0
C35A C36A C31A . . 120.0
C35A C36A H36A . . 120.0
C31A C36A H36A . . 120.0
C38A C37A C42A . . 120.0
C38A C37A P2 . . 115.7(6)
C42A C37A P2 . . 124.1(6)
C39A C38A C37A . . 120.0
C39A C38A H38A . . 120.0
C37A C38A H38A . . 120.0
C40A C39A C38A . . 120.0
C40A C39A H39A . . 120.0
C38A C39A H39A . . 120.0
C39A C40A C41A . . 120.0
C39A C40A H40A . . 120.0
C41A C40A H40A . . 120.0
C42A C41A C40A . . 120.0
C42A C41A H41A . . 120.0
C40A C41A H41A . . 120.0
C41A C42A C37A . . 120.0
C41A C42A H42A . . 120.0
C37A C42A H42A . . 120.0
C15A O1A C16A . . 109.9(13)
C17A O3A C18A . . 115.9(14)
C27A O5A C28A . . 107.5(16)
C29A O7A C30A . . 103.9(14)
Cu1 Cl1 Cu1 . 2_665 130.64(8)
Cu1 Cl1 Cu2 . 2_665 79.58(6)
Cu1 Cl1 Cu2 2_665 2_665 87.15(6)
Cu2 Cl2 Cu2 . 3_565 129.95(8)
Cu2 Cl2 Cu1 . 3_565 79.20(6)
Cu2 Cl2 Cu1 3_565 3_565 86.68(6)
C7A P1 C1 . . 89.9(6)
C7A P1 C13 . . 102.1(8)
C1 P1 C13 . . 104.8(5)
C7A P1 C7 . . 11.4(8)
C1 P1 C7 . . 100.4(5)
C13 P1 C7 . . 103.3(6)
C7A P1 C13A . . 106.7(8)
C1 P1 C13A . . 111.9(6)
C13 P1 C13A . . 8.8(10)
C7 P1 C13A . . 106.3(7)
C7A P1 C1A . . 104.3(6)
C1 P1 C1A . . 16.7(4)
C13 P1 C1A . . 93.3(5)
C7 P1 C1A . . 115.3(6)
C13A P1 C1A . . 99.1(6)
C7A P1 Cu1 . . 120.3(5)
C1 P1 Cu1 . . 117.4(3)
C13 P1 Cu1 . . 117.9(5)
C7 P1 Cu1 . . 110.8(4)
C13A P1 Cu1 . . 109.2(7)
C1A P1 Cu1 . . 114.9(3)
C37A P2 C31 . . 94.7(5)
C37A P2 C25A . . 106.7(6)
C31 P2 C25A . . 101.0(7)
C37A P2 C37 . . 11.6(5)
C31 P2 C37 . . 102.6(4)
C25A P2 C37 . . 96.6(6)
C37A P2 C31A . . 95.1(6)
C31 P2 C31A . . 3.0(9)
C25A P2 C31A . . 103.8(7)
C37 P2 C31A . . 103.3(5)
C37A P2 C25 . . 112.9(6)
C31 P2 C25 . . 104.2(6)
C25A P2 C25 . . 7.5(10)
C37 P2 C25 . . 102.4(5)
C31A P2 C25 . . 106.7(7)
C37A P2 Cu2 . . 116.6(4)
C31 P2 Cu2 . . 116.7(4)
C25A P2 Cu2 . . 117.7(6)
C37 P2 Cu2 . . 118.8(3)
C31A P2 Cu2 . . 114.0(5)
C25 P2 Cu2 . . 110.4(6)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cu1 P1 . 2.194(2)
Cu1 Cl1 . 2.3342(18)
Cu1 Cl1 3_565 2.4288(18)
Cu1 Cl2 2_665 2.446(2)
Cu1 Cu2 2_665 3.0525(10)
Cu2 P2 . 2.1954(19)
Cu2 Cl2 . 2.3417(18)
Cu2 Cl1 3_565 2.434(2)
Cu2 Cl2 2_665 2.4383(18)
Cu2 Cu1 3_565 3.0525(10)
C1 C2 . 1.39
C1 C6 . 1.39
C1 P1 . 1.836(6)
C2 C3 . 1.39
C2 H2 . 0.95
C3 C4 . 1.39
C3 H3 . 0.95
C4 C5 . 1.39
C4 H4 . 0.95
C5 C6 . 1.39
C5 H5 . 0.95
C6 H6 . 0.95
C7 C8 . 1.39
C7 C12 . 1.39
C7 P1 . 1.867(8)
C8 C9 . 1.39
C8 H8 . 0.95
C9 C10 . 1.39
C9 H9 . 0.95
C10 C11 . 1.39
C10 H10 . 0.95
C11 C12 . 1.39
C11 H11 . 0.95
C12 H12 . 0.95
C13 C19 . 1.550(11)
C13 C14 . 1.608(14)
C13 P1 . 1.846(10)
C13 H13 . 1.0
C14 C17 . 1.475(14)
C14 C15 . 1.567(14)
C14 H14 . 1.0
C15 O2 . 1.219(14)
C15 O1 . 1.305(15)
C16 O1 . 1.478(12)
C16 H16A . 0.98
C16 H16B . 0.98
C16 H16C . 0.98
C17 O3 . 1.268(15)
C17 O4 . 1.359(16)
C18 O3 . 1.498(13)
C18 H18A . 0.98
C18 H18B . 0.98
C18 H18C . 0.98
C19 C20 . 1.39
C19 C24 . 1.39
C20 C21 . 1.39
C20 H20 . 0.95
C21 C22 . 1.39
C21 H21 . 0.95
C22 C23 . 1.39
C22 H22 . 0.95
C23 C24 . 1.39
C23 C25 . 1.564(10)
C24 H24 . 0.95
C25 C26 . 1.571(14)
C25 P2 . 1.876(9)
C25 H25 . 1.0
C26 C29 . 1.535(14)
C26 C27 . 1.667(14)
C26 H26 . 1.0
C27 O6 . 1.189(14)
C27 O5 . 1.271(13)
C28 O5 . 1.493(13)
C28 H28A . 0.98
C28 H28B . 0.98
C28 H28C . 0.98
C29 O8 . 1.174(14)
C29 O7 . 1.329(14)
C30 O7 . 1.509(12)
C30 H30A . 0.98
C30 H30B . 0.98
C30 H30C . 0.98
C31 C32 . 1.39
C31 C36 . 1.39
C31 P2 . 1.829(7)
C32 C33 . 1.39
C32 H32 . 0.95
C33 C34 . 1.39
C33 H33 . 0.95
C34 C35 . 1.39
C34 H34 . 0.95
C35 C36 . 1.39
C35 H35 . 0.95
C36 H36 . 0.95
C37 C38 . 1.39
C37 C42 . 1.39
C37 P2 . 1.833(6)
C38 C39 . 1.39
C38 H38 . 0.95
C39 C40 . 1.39
C39 H39 . 0.95
C40 C41 . 1.39
C40 H40 . 0.95
C41 C42 . 1.39
C41 H41 . 0.95
C42 H42 . 0.95
C1A C2A . 1.39
C1A C6A . 1.39
C1A P1 . 1.884(7)
C2A C3A . 1.39
C2A H2A . 0.95
C3A C4A . 1.39
C3A H3A . 0.95
C4A C5A . 1.39
C4A H4A . 0.95
C5A C6A . 1.39
C5A H5A . 0.95
C6A H6A . 0.95
C7A C8A . 1.39
C7A C12A . 1.39
C7A P1 . 1.814(8)
C8A C9A . 1.39
C8A H8A . 0.95
C9A C10A . 1.39
C9A H9A . 0.95
C10A C11A . 1.39
C10A H10A . 0.95
C11A C12A . 1.39
C11A H11A . 0.95
C12A H12A . 0.95
C13A C19A . 1.571(12)
C13A C14A . 1.625(17)
C13A P1 . 1.879(10)
C13A H13A . 1.0
C14A C17A . 1.498(16)
C14A C15A . 1.585(16)
C14A H14A . 1.0
C15A O2A . 1.234(16)
C15A O1A . 1.293(16)
C16A O1A . 1.491(16)
C16A H16D . 0.98
C16A H16E . 0.98
C16A H16F . 0.98
C17A O3A . 1.271(16)
C17A O4A . 1.343(16)
C18A O3A . 1.510(16)
C18A H18D . 0.98
C18A H18E . 0.98
C18A H18F . 0.98
C19A C20A . 1.39
C19A C24A . 1.39
C20A C21A . 1.39
C20A H20A . 0.95
C21A C22A . 1.39
C21A H21A . 0.95
C22A C23A . 1.39
C22A H22A . 0.95
C23A C24A . 1.39
C23A C25A . 1.555(12)
C24A H24A . 0.95
C25A C26A . 1.552(15)
C25A P2 . 1.832(11)
C25A H25A . 1.0
C26A C29A . 1.516(15)
C26A C27A . 1.647(15)
C26A H26A . 1.0
C27A O6A . 1.185(15)
C27A O5A . 1.278(14)
C28A O5A . 1.497(18)
C28A H28D . 0.98
C28A H28E . 0.98
C28A H28F . 0.98
C29A O8A . 1.194(15)
C29A O7A . 1.330(15)
C30A O7A . 1.538(16)
C30A H30D . 0.98
C30A H30E . 0.98
C30A H30F . 0.98
C31A C32A . 1.39
C31A C36A . 1.39
C31A P2 . 1.842(8)
C32A C33A . 1.39
C32A H32A . 0.95
C33A C34A . 1.39
C33A H33A . 0.95
C34A C35A . 1.39
C34A H34A . 0.95
C35A C36A . 1.39
C35A H35A . 0.95
C36A H36A . 0.95
C37A C38A . 1.39
C37A C42A . 1.39
C37A P2 . 1.826(7)
C38A C39A . 1.39
C38A H38A . 0.95
C39A C40A . 1.39
C39A H39A . 0.95
C40A C41A . 1.39
C40A H40A . 0.95
C41A C42A . 1.39
C41A H41A . 0.95
C42A H42A . 0.95
Cl1 Cu1 2_665 2.4289(18)
Cl1 Cu2 2_665 2.434(2)
Cl2 Cu2 3_565 2.4383(18)
Cl2 Cu1 3_565 2.446(2)
