#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:23:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180037 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/31/7033139.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_7033139
loop_
_publ_author_name
'Adiraju, Venkata A. K.'
'Yousufuddin, Muhammed'
'Rasika Dias, H. V.'
_publ_section_title
;
 Copper(i), silver(i) and gold(i) complexes of N-heterocyclic
 carbene-phosphinidene.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4449
_journal_page_last               4454
_journal_paper_doi               10.1039/c4dt03285c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C108 H116 Cl8 Cu8 N8 P4, 2(C H2 Cl2)'
_chemical_formula_sum            'C110 H120 Cl12 Cu8 N8 P4'
_chemical_formula_weight         2611.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                90
_cell_angle_beta                 94.917(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.8559(14)
_cell_length_b                   16.5326(13)
_cell_length_c                   19.4749(15)
_cell_measurement_reflns_used    9891
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      36.41
_cell_measurement_theta_min      2.88
_cell_volume                     5727.9(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0371
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            74308
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         28.281
_diffrn_reflns_theta_min         2.717
_exptl_absorpt_coefficient_mu    1.841
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.835
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_description       prism
_exptl_crystal_F_000             2664
_exptl_crystal_size_max          0.247
_exptl_crystal_size_mid          0.147
_exptl_crystal_size_min          0.146
_refine_diff_density_max         0.963
_refine_diff_density_min         -0.604
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         14193
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0700P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.1099
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11224
_reflns_number_total             14193
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt03285c1.cif
_cod_data_source_block           rad164_0m_a
_cod_depositor_comments
'Adding full bibliography for 7033139--7033142.cif.'
_cod_database_code               7033139
#BEGIN Tags that were not found in dictionaries:
_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   0.659
_shelx_estimated_absorpt_t_max   0.775
_shelxl_version_number           2014/6
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Cu1 Cu 0.47171(2) 0.42169(2) 0.67550(2) 0.01540(8) Uani 1 1 d . .
Cu2 Cu 0.43942(2) 0.61987(2) 0.77157(2) 0.01552(8) Uani 1 1 d . .
Cu3 Cu 0.50423(2) 0.79349(2) 0.80930(2) 0.01533(8) Uani 1 1 d . .
Cu4 Cu 0.52146(2) 0.96415(2) 0.93188(2) 0.01478(8) Uani 1 1 d . .
Cl1 Cl 0.54154(4) 0.34211(4) 0.62356(3) 0.02175(14) Uani 1 1 d . .
Cl2 Cl 0.46231(4) 0.68964(4) 0.87478(3) 0.01964(14) Uani 1 1 d . .
Cl3 Cl 0.45641(4) 0.73164(4) 0.70338(3) 0.01752(13) Uani 1 1 d . .
Cl4 Cl 0.55370(4) 0.92553(4) 1.04370(3) 0.02056(14) Uani 1 1 d . .
P1 P 0.41247(3) 0.49155(4) 0.74905(3) 0.01099(13) Uani 1 1 d . .
P2 P 0.54376(3) 0.91821(4) 0.82997(3) 0.00932(12) Uani 1 1 d . .
N1 N 0.28526(12) 0.47407(13) 0.65142(11) 0.0155(4) Uani 1 1 d . .
N2 N 0.25209(12) 0.49220(14) 0.75440(11) 0.0166(5) Uani 1 1 d . .
N3 N 0.69181(12) 0.98926(12) 0.82566(11) 0.0132(4) Uani 1 1 d . .
N4 N 0.69313(11) 0.85920(12) 0.83182(11) 0.0129(4) Uani 1 1 d . .
C1 C 0.31265(14) 0.48363(15) 0.71808(13) 0.0123(5) Uani 1 1 d . .
C2 C 0.20733(15) 0.47702(19) 0.64654(16) 0.0250(6) Uani 1 1 d . .
H2 H 0.1747 0.4721 0.6056 0.030 Uiso 1 1 calc R U
C3 C 0.18672(16) 0.48813(19) 0.71071(15) 0.0252(6) Uani 1 1 d . .
H3 H 0.1368 0.4924 0.7236 0.030 Uiso 1 1 calc R U
C4 C 0.32754(14) 0.45916(16) 0.59273(13) 0.0150(5) Uani 1 1 d . .
C5 C 0.35039(14) 0.52479(16) 0.55466(13) 0.0164(5) Uani 1 1 d . .
C6 C 0.38761(15) 0.50750(18) 0.49655(14) 0.0207(6) Uani 1 1 d . .
H6 H 0.4048 0.5509 0.4700 0.025 Uiso 1 1 calc R U
C7 C 0.40048(15) 0.42812(18) 0.47609(14) 0.0198(6) Uani 1 1 d . .
C8 C 0.37451(15) 0.36479(17) 0.51474(14) 0.0199(6) Uani 1 1 d . .
H8 H 0.3818 0.3106 0.5004 0.024 Uiso 1 1 calc R U
C9 C 0.33831(15) 0.37900(16) 0.57350(14) 0.0181(5) Uani 1 1 d . .
C10 C 0.33560(18) 0.61022(17) 0.57553(15) 0.0247(6) Uani 1 1 d . .
H10A H 0.3657 0.6226 0.6187 0.037 Uiso 1 1 calc R U
H10B H 0.2821 0.6166 0.5822 0.037 Uiso 1 1 calc R U
H10C H 0.3493 0.6473 0.5394 0.037 Uiso 1 1 calc R U
C11 C 0.44320(17) 0.4109(2) 0.41394(15) 0.0284(7) Uani 1 1 d . .
H11A H 0.4970 0.4062 0.4284 0.043 Uiso 1 1 calc R U
H11B H 0.4352 0.4551 0.3806 0.043 Uiso 1 1 calc R U
H11C H 0.4252 0.3601 0.3925 0.043 Uiso 1 1 calc R U
C12 C 0.31071(18) 0.30928(17) 0.61510(16) 0.0271(7) Uani 1 1 d . .
H12A H 0.2557 0.3077 0.6098 0.041 Uiso 1 1 calc R U
H12B H 0.3278 0.3167 0.6638 0.041 Uiso 1 1 calc R U
H12C H 0.3308 0.2584 0.5986 0.041 Uiso 1 1 calc R U
C13 C 0.25342(14) 0.51197(18) 0.82655(14) 0.0181(5) Uani 1 1 d . .
C14 C 0.26565(15) 0.59232(18) 0.84570(14) 0.0214(6) Uani 1 1 d . .
C15 C 0.26824(17) 0.6108(2) 0.91557(16) 0.0276(7) Uani 1 1 d . .
H15 H 0.2790 0.6647 0.9303 0.033 Uiso 1 1 calc R U
C16 C 0.25534(18) 0.5520(2) 0.96414(16) 0.0319(7) Uani 1 1 d . .
C17 C 0.24110(17) 0.4740(2) 0.94277(16) 0.0324(7) Uani 1 1 d . .
H17 H 0.2319 0.4342 0.9762 0.039 Uiso 1 1 calc R U
C18 C 0.23965(15) 0.45093(19) 0.87321(15) 0.0239(6) Uani 1 1 d . .
C19 C 0.27042(17) 0.65839(17) 0.79276(16) 0.0248(6) Uani 1 1 d . .
H19A H 0.2197 0.6770 0.7772 0.037 Uiso 1 1 calc R U
H19B H 0.2950 0.6374 0.7534 0.037 Uiso 1 1 calc R U
H19C H 0.2997 0.7038 0.8134 0.037 Uiso 1 1 calc R U
C20 C 0.2563(3) 0.5755(3) 1.03909(18) 0.0565(12) Uani 1 1 d . .
H20A H 0.2304 0.5339 1.0641 0.085 Uiso 1 1 calc R U
H20B H 0.2307 0.6275 1.0430 0.085 Uiso 1 1 calc R U
H20C H 0.3084 0.5802 1.0589 0.085 Uiso 1 1 calc R U
C21 C 0.22215(18) 0.3655(2) 0.85047(18) 0.0327(7) Uani 1 1 d . .
H21A H 0.1713 0.3632 0.8272 0.049 Uiso 1 1 calc R U
H21B H 0.2253 0.3298 0.8908 0.049 Uiso 1 1 calc R U
H21C H 0.2585 0.3479 0.8186 0.049 Uiso 1 1 calc R U
C22 C 0.41878(14) 0.42647(15) 0.82625(13) 0.0133(5) Uani 1 1 d . .
C23 C 0.43692(15) 0.45955(17) 0.89160(13) 0.0179(5) Uani 1 1 d . .
H23 H 0.4393 0.5166 0.8973 0.022 Uiso 1 1 calc R U
C24 C 0.45153(17) 0.40875(19) 0.94844(15) 0.0254(6) Uani 1 1 d . .
H24 H 0.4643 0.4316 0.9927 0.030 Uiso 1 1 calc R U
C25 C 0.44761(16) 0.32549(19) 0.94119(15) 0.0256(6) Uani 1 1 d . .
H25 H 0.4585 0.2914 0.9800 0.031 Uiso 1 1 calc R U
C26 C 0.42769(17) 0.29249(17) 0.87714(16) 0.0251(6) Uani 1 1 d . .
H26 H 0.4231 0.2355 0.8722 0.030 Uiso 1 1 calc R U
C27 C 0.41434(15) 0.34228(16) 0.81991(14) 0.0199(6) Uani 1 1 d . .
H27 H 0.4020 0.3188 0.7759 0.024 Uiso 1 1 calc R U
C28 C 0.64615(13) 0.92347(14) 0.82646(12) 0.0105(5) Uani 1 1 d . .
C29 C 0.76638(14) 0.96510(16) 0.83058(15) 0.0200(6) Uani 1 1 d . .
H29 H 0.8090 0.9995 0.8311 0.024 Uiso 1 1 calc R U
C30 C 0.76724(15) 0.88417(16) 0.83445(15) 0.0198(6) Uani 1 1 d . .
H30 H 0.8105 0.8504 0.8383 0.024 Uiso 1 1 calc R U
C31 C 0.67004(14) 1.07367(14) 0.82248(14) 0.0138(5) Uani 1 1 d . .
C32 C 0.66255(14) 1.11383(15) 0.88462(14) 0.0163(5) Uani 1 1 d . .
C33 C 0.64268(15) 1.19516(16) 0.88071(14) 0.0187(5) Uani 1 1 d . .
H33 H 0.6359 1.2238 0.9220 0.022 Uiso 1 1 calc R U
C34 C 0.63247(15) 1.23557(15) 0.81805(15) 0.0184(5) Uani 1 1 d . .
C35 C 0.64167(14) 1.19319(15) 0.75727(14) 0.0173(5) Uani 1 1 d . .
H35 H 0.6348 1.2207 0.7143 0.021 Uiso 1 1 calc R U
C36 C 0.66073(14) 1.11119(15) 0.75836(13) 0.0147(5) Uani 1 1 d . .
C37 C 0.67754(17) 1.07208(17) 0.95373(14) 0.0220(6) Uani 1 1 d . .
H37A H 0.7317 1.0630 0.9632 0.033 Uiso 1 1 calc R U
H37B H 0.6512 1.0200 0.9527 0.033 Uiso 1 1 calc R U
H37C H 0.6594 1.1062 0.9900 0.033 Uiso 1 1 calc R U
C38 C 0.61389(17) 1.32460(17) 0.81551(16) 0.0255(6) Uani 1 1 d . .
H38A H 0.5888 1.3395 0.8565 0.038 Uiso 1 1 calc R U
H38B H 0.5805 1.3361 0.7741 0.038 Uiso 1 1 calc R U
H38C H 0.6603 1.3560 0.8143 0.038 Uiso 1 1 calc R U
C39 C 0.66724(16) 1.06668(17) 0.69173(14) 0.0207(6) Uani 1 1 d . .
H39A H 0.6897 1.0134 0.7015 0.031 Uiso 1 1 calc R U
H39B H 0.6991 1.0976 0.6627 0.031 Uiso 1 1 calc R U
H39C H 0.6172 1.0601 0.6676 0.031 Uiso 1 1 calc R U
C40 C 0.67225(13) 0.77446(14) 0.83061(13) 0.0129(5) Uani 1 1 d . .
C41 C 0.67254(14) 0.73409(15) 0.89388(14) 0.0155(5) Uani 1 1 d . .
C42 C 0.65464(15) 0.65213(16) 0.89095(15) 0.0194(6) Uani 1 1 d . .
H42 H 0.6536 0.6226 0.9327 0.023 Uiso 1 1 calc R U
C43 C 0.63830(15) 0.61241(15) 0.82858(16) 0.0204(6) Uani 1 1 d . .
C44 C 0.64100(14) 0.65551(16) 0.76752(15) 0.0200(6) Uani 1 1 d . .
H44 H 0.6305 0.6281 0.7249 0.024 Uiso 1 1 calc R U
C45 C 0.65869(14) 0.73756(16) 0.76686(14) 0.0162(5) Uani 1 1 d . .
C46 C 0.68917(18) 0.77766(18) 0.96101(15) 0.0258(6) Uani 1 1 d . .
H46A H 0.6892 0.7389 0.9991 0.039 Uiso 1 1 calc R U
H46B H 0.6506 0.8189 0.9661 0.039 Uiso 1 1 calc R U
H46C H 0.7386 0.8036 0.9617 0.039 Uiso 1 1 calc R U
C47 C 0.61838(18) 0.52361(17) 0.82614(19) 0.0312(7) Uani 1 1 d . .
H47A H 0.6645 0.4914 0.8265 0.047 Uiso 1 1 calc R U
H47B H 0.5862 0.5122 0.7839 0.047 Uiso 1 1 calc R U
H47C H 0.5916 0.5097 0.8664 0.047 Uiso 1 1 calc R U
C48 C 0.66216(16) 0.78214(17) 0.69993(14) 0.0225(6) Uani 1 1 d . .
H48A H 0.6127 0.8051 0.6856 0.034 Uiso 1 1 calc R U
H48B H 0.6768 0.7446 0.6645 0.034 Uiso 1 1 calc R U
H48C H 0.6993 0.8258 0.7061 0.034 Uiso 1 1 calc R U
C49 C 0.50825(13) 0.98803(15) 0.76091(12) 0.0110(5) Uani 1 1 d . .
C50 C 0.49264(14) 1.06915(15) 0.77503(14) 0.0144(5) Uani 1 1 d . .
H50 H 0.5041 1.0900 0.8202 0.017 Uiso 1 1 calc R U
C51 C 0.46034(15) 1.11945(16) 0.72318(14) 0.0187(5) Uani 1 1 d . .
H51 H 0.4505 1.1745 0.7330 0.022 Uiso 1 1 calc R U
C52 C 0.44242(16) 1.08939(18) 0.65718(15) 0.0232(6) Uani 1 1 d . .
H52 H 0.4205 1.1238 0.6219 0.028 Uiso 1 1 calc R U
C53 C 0.45667(16) 1.00907(18) 0.64297(14) 0.0215(6) Uani 1 1 d . .
H53 H 0.4442 0.9885 0.5979 0.026 Uiso 1 1 calc R U
C54 C 0.48920(14) 0.95814(16) 0.69439(13) 0.0162(5) Uani 1 1 d . .
H54 H 0.4985 0.9030 0.6842 0.019 Uiso 1 1 calc R U
Cl5 Cl 0.44754(6) 0.14778(6) 0.46861(5) 0.0500(2) Uani 1 1 d . .
Cl6 Cl 0.60643(7) 0.16175(9) 0.51921(7) 0.0781(4) Uani 1 1 d . .
C55 C 0.5279(2) 0.2106(2) 0.47787(18) 0.0417(9) Uani 1 1 d . .
H55A H 0.5401 0.2288 0.4317 0.050 Uiso 1 1 calc R U
H55B H 0.5163 0.2592 0.5047 0.050 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 0.0033 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'
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_3
Cl1 Cu1 P1 167.45(3) .
P1 Cu2 Cl3 133.66(3) .
P1 Cu2 Cl2 131.85(3) .
Cl3 Cu2 Cl2 94.49(2) .
P2 Cu3 Cl2 135.28(3) .
P2 Cu3 Cl3 129.92(3) .
Cl2 Cu3 Cl3 92.86(2) .
P2 Cu4 Cl4 135.41(3) .
P2 Cu4 Cl4 127.32(3) 3_677
Cl4 Cu4 Cl4 97.22(2) 3_677
Cu3 Cl2 Cu2 86.12(2) .
Cu2 Cl3 Cu3 84.32(2) .
Cu4 Cl4 Cu4 82.78(2) 3_677
C1 P1 C22 102.46(11) .
C1 P1 Cu1 104.95(8) .
C22 P1 Cu1 103.12(8) .
C1 P1 Cu2 108.79(8) .
C22 P1 Cu2 113.65(9) .
Cu1 P1 Cu2 121.90(3) .
C28 P2 C49 102.97(11) .
C28 P2 Cu4 106.00(8) .
C49 P2 Cu4 111.45(8) .
C28 P2 Cu3 109.97(8) .
C49 P2 Cu3 111.58(8) .
Cu4 P2 Cu3 114.14(3) .
C1 N1 C2 109.8(2) .
C1 N1 C4 127.4(2) .
C2 N1 C4 122.8(2) .
C1 N2 C3 110.1(2) .
C1 N2 C13 126.0(2) .
C3 N2 C13 123.5(2) .
C28 N3 C29 110.0(2) .
C28 N3 C31 127.7(2) .
C29 N3 C31 122.2(2) .
C28 N4 C30 110.7(2) .
C28 N4 C40 127.0(2) .
C30 N4 C40 122.2(2) .
N2 C1 N1 105.9(2) .
N2 C1 P1 128.26(19) .
N1 C1 P1 125.63(19) .
C3 C2 N1 107.1(2) .
C3 C2 H2 126.5 .
N1 C2 H2 126.5 .
C2 C3 N2 107.1(2) .
C2 C3 H3 126.5 .
N2 C3 H3 126.5 .
C5 C4 C9 122.9(2) .
C5 C4 N1 119.0(2) .
C9 C4 N1 117.9(2) .
C6 C5 C4 117.0(2) .
C6 C5 C10 121.5(3) .
C4 C5 C10 121.5(2) .
C5 C6 C7 121.8(3) .
C5 C6 H6 119.1 .
C7 C6 H6 119.1 .
C8 C7 C6 118.8(3) .
C8 C7 C11 120.4(3) .
C6 C7 C11 120.8(3) .
C9 C8 C7 121.4(3) .
C9 C8 H8 119.3 .
C7 C8 H8 119.3 .
C8 C9 C4 118.0(3) .
C8 C9 C12 120.7(3) .
C4 C9 C12 121.4(2) .
C5 C10 H10A 109.5 .
C5 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C5 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
C7 C11 H11A 109.5 .
C7 C11 H11B 109.5 .
H11A C11 H11B 109.5 .
C7 C11 H11C 109.5 .
H11A C11 H11C 109.5 .
H11B C11 H11C 109.5 .
C9 C12 H12A 109.5 .
C9 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C9 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C14 C13 C18 123.3(3) .
C14 C13 N2 117.8(2) .
C18 C13 N2 118.8(3) .
C15 C14 C13 117.6(3) .
C15 C14 C19 120.6(3) .
C13 C14 C19 121.6(3) .
C16 C15 C14 121.2(3) .
C16 C15 H15 119.4 .
C14 C15 H15 119.4 .
C17 C16 C15 119.2(3) .
C17 C16 C20 121.4(3) .
C15 C16 C20 119.3(3) .
C16 C17 C18 122.4(3) .
C16 C17 H17 118.8 .
C18 C17 H17 118.8 .
C13 C18 C17 116.2(3) .
C13 C18 C21 122.1(3) .
C17 C18 C21 121.7(3) .
C14 C19 H19A 109.5 .
C14 C19 H19B 109.5 .
H19A C19 H19B 109.5 .
C14 C19 H19C 109.5 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
C16 C20 H20A 109.5 .
C16 C20 H20B 109.5 .
H20A C20 H20B 109.5 .
C16 C20 H20C 109.5 .
H20A C20 H20C 109.5 .
H20B C20 H20C 109.5 .
C18 C21 H21A 109.5 .
C18 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
C18 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
H21B C21 H21C 109.5 .
C27 C22 C23 118.5(2) .
C27 C22 P1 120.6(2) .
C23 C22 P1 120.48(19) .
C24 C23 C22 120.0(3) .
C24 C23 H23 120.0 .
C22 C23 H23 120.0 .
C25 C24 C23 120.8(3) .
C25 C24 H24 119.6 .
C23 C24 H24 119.6 .
C26 C25 C24 119.5(3) .
C26 C25 H25 120.3 .
C24 C25 H25 120.3 .
C25 C26 C27 120.3(3) .
C25 C26 H26 119.9 .
C27 C26 H26 119.9 .
C26 C27 C22 120.9(3) .
C26 C27 H27 119.5 .
C22 C27 H27 119.5 .
N4 C28 N3 105.1(2) .
N4 C28 P2 124.93(18) .
N3 C28 P2 129.61(18) .
C30 C29 N3 107.3(2) .
C30 C29 H29 126.3 .
N3 C29 H29 126.3 .
C29 C30 N4 106.8(2) .
C29 C30 H30 126.6 .
N4 C30 H30 126.6 .
C36 C31 C32 123.6(2) .
C36 C31 N3 118.6(2) .
C32 C31 N3 117.8(2) .
C33 C32 C31 117.1(2) .
C33 C32 C37 120.9(2) .
C31 C32 C37 122.0(2) .
C32 C33 C34 121.8(3) .
C32 C33 H33 119.1 .
C34 C33 H33 119.1 .
C33 C34 C35 119.1(2) .
C33 C34 C38 120.7(3) .
C35 C34 C38 120.2(3) .
C36 C35 C34 121.3(2) .
C36 C35 H35 119.3 .
C34 C35 H35 119.3 .
C31 C36 C35 117.1(2) .
C31 C36 C39 122.9(2) .
C35 C36 C39 119.9(2) .
C32 C37 H37A 109.5 .
C32 C37 H37B 109.5 .
H37A C37 H37B 109.5 .
C32 C37 H37C 109.5 .
H37A C37 H37C 109.5 .
H37B C37 H37C 109.5 .
C34 C38 H38A 109.5 .
C34 C38 H38B 109.5 .
H38A C38 H38B 109.5 .
C34 C38 H38C 109.5 .
H38A C38 H38C 109.5 .
H38B C38 H38C 109.5 .
C36 C39 H39A 109.5 .
C36 C39 H39B 109.5 .
H39A C39 H39B 109.5 .
C36 C39 H39C 109.5 .
H39A C39 H39C 109.5 .
H39B C39 H39C 109.5 .
C45 C40 C41 124.4(2) .
C45 C40 N4 117.7(2) .
C41 C40 N4 117.7(2) .
C42 C41 C40 116.4(2) .
C42 C41 C46 122.1(2) .
C40 C41 C46 121.6(2) .
C43 C42 C41 121.7(3) .
C43 C42 H42 119.1 .
C41 C42 H42 119.1 .
C42 C43 C44 119.0(2) .
C42 C43 C47 121.2(3) .
C44 C43 C47 119.8(3) .
C43 C44 C45 122.1(3) .
C43 C44 H44 119.0 .
C45 C44 H44 119.0 .
C40 C45 C44 116.3(2) .
C40 C45 C48 122.9(2) .
C44 C45 C48 120.8(2) .
C41 C46 H46A 109.5 .
C41 C46 H46B 109.5 .
H46A C46 H46B 109.5 .
C41 C46 H46C 109.5 .
H46A C46 H46C 109.5 .
H46B C46 H46C 109.5 .
C43 C47 H47A 109.5 .
C43 C47 H47B 109.5 .
H47A C47 H47B 109.5 .
C43 C47 H47C 109.5 .
H47A C47 H47C 109.5 .
H47B C47 H47C 109.5 .
C45 C48 H48A 109.5 .
C45 C48 H48B 109.5 .
H48A C48 H48B 109.5 .
C45 C48 H48C 109.5 .
H48A C48 H48C 109.5 .
H48B C48 H48C 109.5 .
C54 C49 C50 118.8(2) .
C54 C49 P2 119.66(19) .
C50 C49 P2 121.18(19) .
C51 C50 C49 120.4(2) .
C51 C50 H50 119.8 .
C49 C50 H50 119.8 .
C52 C51 C50 120.3(3) .
C52 C51 H51 119.8 .
C50 C51 H51 119.8 .
C53 C52 C51 119.8(3) .
C53 C52 H52 120.1 .
C51 C52 H52 120.1 .
C52 C53 C54 120.5(3) .
C52 C53 H53 119.8 .
C54 C53 H53 119.8 .
C53 C54 C49 120.2(2) .
C53 C54 H54 119.9 .
C49 C54 H54 119.9 .
Cl6 C55 Cl5 112.7(2) .
Cl6 C55 H55A 109.1 .
Cl5 C55 H55A 109.1 .
Cl6 C55 H55B 109.1 .
Cl5 C55 H55B 109.1 .
H55A C55 H55B 107.8 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 Cl1 2.1272(7) .
Cu1 P1 2.1828(7) .
Cu2 P1 2.2110(7) .
Cu2 Cl3 2.3105(7) .
Cu2 Cl2 2.3232(7) .
Cu3 P2 2.2052(7) .
Cu3 Cl2 2.3018(7) .
Cu3 Cl3 2.3933(7) .
Cu4 P2 2.1932(7) .
Cu4 Cl4 2.2949(7) .
Cu4 Cl4 2.3375(7) 3_677
Cl4 Cu4 2.3375(7) 3_677
P1 C1 1.837(3) .
P1 C22 1.844(3) .
P2 C28 1.837(2) .
P2 C49 1.843(2) .
N1 C1 1.357(3) .
N1 C2 1.388(3) .
N1 C4 1.444(3) .
N2 C1 1.349(3) .
N2 C3 1.386(3) .
N2 C13 1.441(3) .
N3 C28 1.360(3) .
N3 C29 1.386(3) .
N3 C31 1.449(3) .
N4 C28 1.352(3) .
N4 C30 1.383(3) .
N4 C40 1.449(3) .
C2 C3 1.345(4) .
C2 H2 0.9500 .
C3 H3 0.9500 .
C4 C5 1.395(4) .
C4 C9 1.395(4) .
C5 C6 1.390(4) .
C5 C10 1.499(4) .
C6 C7 1.396(4) .
C6 H6 0.9500 .
C7 C8 1.392(4) .
C7 C11 1.512(4) .
C8 C9 1.382(4) .
C8 H8 0.9500 .
C9 C12 1.515(4) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.392(4) .
C13 C18 1.394(4) .
C14 C15 1.391(4) .
C14 C19 1.509(4) .
C15 C16 1.390(5) .
C15 H15 0.9500 .
C16 C17 1.372(5) .
C16 C20 1.509(5) .
C17 C18 1.405(4) .
C17 H17 0.9500 .
C18 C21 1.505(4) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C27 1.399(4) .
C22 C23 1.397(4) .
C23 C24 1.396(4) .
C23 H23 0.9500 .
C24 C25 1.385(4) .
C24 H24 0.9500 .
C25 C26 1.380(4) .
C25 H25 0.9500 .
C26 C27 1.390(4) .
C26 H26 0.9500 .
C27 H27 0.9500 .
C29 C30 1.340(4) .
C29 H29 0.9500 .
C30 H30 0.9500 .
C31 C36 1.392(4) .
C31 C32 1.397(4) .
C32 C33 1.391(4) .
C32 C37 1.516(4) .
C33 C34 1.390(4) .
C33 H33 0.9500 .
C34 C35 1.397(4) .
C34 C38 1.509(4) .
C35 C36 1.397(4) .
C35 H35 0.9500 .
C36 C39 1.505(4) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 C45 1.386(4) .
C40 C41 1.401(4) .
C41 C42 1.392(4) .
C41 C46 1.500(4) .
C42 C43 1.389(4) .
C42 H42 0.9500 .
C43 C44 1.391(4) .
C43 C47 1.510(4) .
C44 C45 1.393(4) .
C44 H44 0.9500 .
C45 C48 1.503(4) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C54 1.401(3) .
C49 C50 1.402(3) .
C50 C51 1.394(4) .
C50 H50 0.9500 .
C51 C52 1.390(4) .
C51 H51 0.9500 .
C52 C53 1.384(4) .
C52 H52 0.9500 .
C53 C54 1.396(4) .
C53 H53 0.9500 .
C54 H54 0.9500 .
Cl5 C55 1.768(4) .
Cl6 C55 1.754(4) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
