#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/30/8103019.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_8103019
loop_
_publ_author_name
'Li-Min Chen'
'Qiong-Hua Jin'
'Liang Yang'
'Jia-Cui Dong'
'Shuang-Feng Deng'
'Pei-Zhou Li'
_publ_section_title
;
 Crystal structure of
 bis-[m-bis(diphenylphosphino)methane]-(m-bromo)-isoquinolinebromodicopper(I)-naphthaline
 - quinoline - acetonitrile, [Cu2(CH2(P(C6H5)2)2)2(i-C9H7N)]Br2 (C10H8)
 · (C9H7N) · CH3CN
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              145
_journal_volume                  223
_journal_year                    2008
_chemical_formula_sum            'C75 H65 Br2 Cu2 N3 P4'
_chemical_formula_weight         1419.08
_chemical_name_systematic
; 
 {bis[μ-bis(diphenylphosphino)methane]-
(μ-bromo)-isoquinolinebromodicopper(I)}
-naphthalinequinolineacetonitrile,
[Cu₂(dppm)₂(i-C₉H₇N)Br₂].(C₁₀H₈)(C₉H₇N)CH₃CN 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.9080(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4016(2)
_cell_length_b                   20.2963(3)
_cell_length_c                   25.1005(4)
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      1.31
_cell_volume                     6597.60(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0615
_diffrn_reflns_av_sigmaI/netI    0.0516
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            56757
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    1.998
_exptl_absorpt_correction_T_max  0.644
_exptl_absorpt_correction_T_min  0.601
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   DABABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2896
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.543
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     764
_refine_ls_number_reflns         12288
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0566P)²+0.3460P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0945
_refine_ls_wR_factor_ref         0.1135
_reflns_number_gt                8144
_reflns_number_total             12288
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            648770.cff
_cod_data_source_block           070403a_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        6597.60(17)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               8103019
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C54 C 0.3458(2) 0.48733(17) -0.09231(13) 0.0909(11) Uani 1 1 d . . .
H54 H 0.3064 0.5163 -0.1180 0.109 Uiso 1 1 calc R . .
C55 C 0.4379(3) 0.46426(19) -0.09875(14) 0.1042(12) Uani 1 1 d . . .
H55 H 0.4599 0.4772 -0.1294 0.125 Uiso 1 1 calc R . .
C56 C 0.4989(2) 0.4220(2) -0.06070(14) 0.1006(13) Uani 1 1 d . . .
H56 H 0.5617 0.4075 -0.0656 0.121 Uiso 1 1 calc R . .
C57 C 0.4671(2) 0.40168(18) -0.01606(13) 0.0813(11) Uani 1 1 d . . .
H57 H 0.5079 0.3728 0.0092 0.098 Uiso 1 1 calc R . .
C75 C 0.5466(3) 0.1820(3) 0.91372(19) 0.175(3) Uani 1 1 d D . .
H75 H 0.5204 0.1784 0.9445 0.330 Uiso 1 1 calc R . .
N2 N 0.5293(4) 0.2260(3) 0.8714(2) 0.284(3) Uani 1 1 d D . .
C67 C 0.5679(4) 0.2363(2) 0.82812(16) 0.2107(19) Uani 1 1 d D . .
H67 H 0.5396 0.2713 0.8053 0.253 Uiso 1 1 calc R . .
C68 C 0.6465(4) 0.2006(3) 0.8126(2) 0.246(3) Uani 1 1 d D . .
H68 H 0.6790 0.2069 0.7845 0.415 Uiso 1 1 calc R . .
C69 C 0.65937(17) 0.15254(11) 0.85371(10) 0.1620(17) Uani 1 1 d GD . .
C74 C 0.61114(19) 0.14724(13) 0.89637(11) 0.0922(12) Uani 1 1 d GD . .
C73 C 0.6376(3) 0.09634(15) 0.93445(11) 0.208(3) Uani 1 1 d G . .
H73 H 0.6054 0.0928 0.9630 0.250 Uiso 1 1 calc R . .
C72 C 0.7124(3) 0.05075(13) 0.92987(13) 0.189(4) Uani 1 1 d G . .
H72 H 0.7301 0.0167 0.9553 0.347 Uiso 1 1 calc R . .
C71 C 0.7606(2) 0.05605(14) 0.88721(15) 0.241(5) Uani 1 1 d G . .
H71 H 0.8106 0.0255 0.8841 0.409 Uiso 1 1 calc R . .
C70 C 0.73412(19) 0.10695(14) 0.84913(12) 0.237(3) Uani 1 1 d G . .
H70 H 0.7664 0.1105 0.8206 0.404 Uiso 1 1 calc R . .
Br1 Br 0.062635(17) 0.457934(11) 0.126135(10) 0.04732(7) Uani 1 1 d . . .
Cu1 Cu 0.19835(2) 0.380331(13) 0.112731(12) 0.04140(8) Uani 1 1 d . . .
Cu2 Cu 0.048736(19) 0.374553(13) 0.201620(12) 0.04259(8) Uani 1 1 d . . .
Br2 Br -0.089201(19) 0.423034(14) 0.238379(13) 0.07033(9) Uani 1 1 d . . .
P1 P 0.12688(4) 0.28244(3) 0.08106(2) 0.03579(15) Uani 1 1 d . . .
P2 P -0.00829(4) 0.27575(3) 0.16339(2) 0.03516(15) Uani 1 1 d . . .
P4 P 0.33262(4) 0.38497(3) 0.18842(2) 0.03557(15) Uani 1 1 d . . .
P3 P 0.19650(4) 0.36359(3) 0.26933(2) 0.03831(16) Uani 1 1 d . . .
C1 C 0.21478(16) 0.22654(11) 0.05833(9) 0.0428(6) Uani 1 1 d . . .
C2 C 0.25686(19) 0.17016(12) 0.08575(11) 0.0577(8) Uani 1 1 d . . .
H2 H 0.2356 0.1561 0.1163 0.069 Uiso 1 1 calc R . .
C6 C 0.2458(2) 0.24455(15) 0.01194(11) 0.0699(9) Uani 1 1 d . . .
H6 H 0.2182 0.2820 -0.0077 0.084 Uiso 1 1 calc R . .
C4 C 0.3606(2) 0.15255(16) 0.02258(13) 0.0844(10) Uani 1 1 d . . .
H4 H 0.4097 0.1282 0.0108 0.101 Uiso 1 1 calc R . .
C3 C 0.3308(2) 0.13398(15) 0.06819(13) 0.0773(10) Uani 1 1 d . . .
H3 H 0.3600 0.0968 0.0878 0.093 Uiso 1 1 calc R . .
C5 C 0.3183(2) 0.20664(18) -0.00544(13) 0.0944(11) Uani 1 1 d . . .
H5 H 0.3378 0.2189 -0.0370 0.113 Uiso 1 1 calc R . .
C7 C 0.01759(15) 0.28626(11) 0.02014(9) 0.0395(6) Uani 1 1 d . . .
C8 C -0.03711(18) 0.23048(13) -0.00280(10) 0.0552(8) Uani 1 1 d . . .
H8 H -0.0183 0.1893 0.0129 0.066 Uiso 1 1 calc R . .
C12 C -0.01289(19) 0.34626(13) -0.00446(10) 0.0562(8) Uani 1 1 d . . .
H12 H 0.0218 0.3844 0.0105 0.067 Uiso 1 1 calc R . .
C9 C -0.1194(2) 0.23605(16) -0.04895(11) 0.0703(9) Uani 1 1 d . . .
H9 H -0.1557 0.1985 -0.0640 0.084 Uiso 1 1 calc R . .
C11 C -0.0947(2) 0.35042(16) -0.05122(11) 0.0694(9) Uani 1 1 d . . .
H11 H -0.1130 0.3910 -0.0681 0.083 Uiso 1 1 calc R . .
C14 C -0.03410(15) 0.21492(11) 0.21210(9) 0.0388(6) Uani 1 1 d . . .
C15 C 0.01661(18) 0.15519(12) 0.22479(10) 0.0495(7) Uani 1 1 d . . .
H15 H 0.0683 0.1436 0.2079 0.059 Uiso 1 1 calc R . .
C17 C -0.08570(19) 0.12889(13) 0.28704(11) 0.0602(8) Uani 1 1 d . . .
H17 H -0.1036 0.1000 0.3118 0.072 Uiso 1 1 calc R . .
C16 C -0.00907(19) 0.11256(12) 0.26247(11) 0.0575(8) Uani 1 1 d . . .
H16 H 0.0259 0.0728 0.2710 0.069 Uiso 1 1 calc R . .
C19 C -0.10982(17) 0.23099(12) 0.23850(10) 0.0507(7) Uani 1 1 d . . .
H19 H -0.1434 0.2714 0.2314 0.061 Uiso 1 1 calc R . .
C18 C -0.1359(2) 0.18767(14) 0.27519(11) 0.0632(8) Uani 1 1 d . . .
H18 H -0.1880 0.1987 0.2919 0.076 Uiso 1 1 calc R . .
C13 C 0.08098(15) 0.23205(11) 0.13059(9) 0.0385(6) Uani 1 1 d . . .
H13A H 0.1401 0.2170 0.1591 0.046 Uiso 1 1 calc R . .
H13B H 0.0463 0.1934 0.1117 0.046 Uiso 1 1 calc R . .
C21 C -0.17914(16) 0.21364(12) 0.09112(10) 0.0473(7) Uani 1 1 d . . .
H21 H -0.1512 0.1739 0.1066 0.057 Uiso 1 1 calc R . .
C20 C -0.12989(15) 0.27286(11) 0.11007(9) 0.0376(6) Uani 1 1 d . . .
C25 C -0.17433(16) 0.33063(12) 0.08748(10) 0.0493(7) Uani 1 1 d . . .
H25 H -0.1429 0.3705 0.1001 0.059 Uiso 1 1 calc R . .
C23 C -0.31224(19) 0.27235(15) 0.02708(11) 0.0640(9) Uani 1 1 d . . .
H23 H -0.3730 0.2723 -0.0010 0.077 Uiso 1 1 calc R . .
C22 C -0.26972(18) 0.21392(14) 0.04926(11) 0.0590(8) Uani 1 1 d . . .
H22 H -0.3017 0.1743 0.0362 0.071 Uiso 1 1 calc R . .
C24 C -0.26575(19) 0.33029(14) 0.04604(11) 0.0650(9) Uani 1 1 d . . .
H24 H -0.2953 0.3699 0.0312 0.078 Uiso 1 1 calc R . .
C26 C 0.18512(16) 0.29653(12) 0.31612(9) 0.0447(6) Uani 1 1 d . . .
C31 C 0.10004(19) 0.29638(15) 0.33841(11) 0.0657(9) Uani 1 1 d . . .
H31 H 0.0536 0.3313 0.3312 0.079 Uiso 1 1 calc R . .
C30 C 0.0839(2) 0.24434(17) 0.37145(11) 0.0792(10) Uani 1 1 d . . .
H30 H 0.0270 0.2449 0.3862 0.095 Uiso 1 1 calc R . .
C27 C 0.2518(2) 0.24355(13) 0.32898(11) 0.0615(8) Uani 1 1 d . . .
H27 H 0.3107 0.2425 0.3159 0.074 Uiso 1 1 calc R . .
C29 C 0.1502(2) 0.19312(16) 0.38213(12) 0.0845(11) Uani 1 1 d . . .
H29 H 0.1387 0.1586 0.4042 0.101 Uiso 1 1 calc R . .
C33 C 0.20492(19) 0.49462(12) 0.30148(11) 0.0552(8) Uani 1 1 d . . .
H33 H 0.1539 0.5006 0.2689 0.066 Uiso 1 1 calc R . .
C32 C 0.24284(16) 0.43215(11) 0.31642(9) 0.0427(6) Uani 1 1 d . . .
C37 C 0.3170(2) 0.42459(13) 0.36585(11) 0.0600(8) Uani 1 1 d . . .
H37 H 0.3421 0.3828 0.3771 0.072 Uiso 1 1 calc R . .
C34 C 0.2419(2) 0.54815(14) 0.33434(12) 0.0709(9) Uani 1 1 d . . .
H34 H 0.2165 0.5901 0.3236 0.085 Uiso 1 1 calc R . .
C36 C 0.3543(2) 0.47832(15) 0.39866(13) 0.0787(10) Uani 1 1 d . . .
H36 H 0.4053 0.4729 0.4314 0.094 Uiso 1 1 calc R . .
C35 C 0.3156(2) 0.53980(14) 0.38267(13) 0.0784(10) Uani 1 1 d . . .
H35 H 0.3398 0.5760 0.4049 0.094 Uiso 1 1 calc R . .
C38 C 0.31363(15) 0.33965(11) 0.24819(9) 0.0380(6) Uani 1 1 d . . .
H38A H 0.3734 0.3466 0.2790 0.046 Uiso 1 1 calc R . .
H38B H 0.3099 0.2930 0.2397 0.046 Uiso 1 1 calc R . .
C39 C 0.45104(15) 0.34698(11) 0.17964(9) 0.0379(6) Uani 1 1 d . . .
C44 C 0.54316(16) 0.38018(13) 0.18450(10) 0.0547(7) Uani 1 1 d . . .
H44 H 0.5485 0.4243 0.1949 0.066 Uiso 1 1 calc R . .
C40 C 0.44658(17) 0.28152(12) 0.16389(10) 0.0505(7) Uani 1 1 d . . .
H40 H 0.3856 0.2581 0.1604 0.061 Uiso 1 1 calc R . .
C43 C 0.62757(18) 0.34836(16) 0.17395(12) 0.0706(9) Uani 1 1 d . . .
H43 H 0.6889 0.3714 0.1775 0.085 Uiso 1 1 calc R . .
C41 C 0.53161(18) 0.24988(14) 0.15313(11) 0.0624(8) Uani 1 1 d . . .
H41 H 0.5272 0.2059 0.1424 0.075 Uiso 1 1 calc R . .
C42 C 0.62185(19) 0.28414(16) 0.15856(11) 0.0676(9) Uani 1 1 d . . .
H42 H 0.6791 0.2633 0.1517 0.081 Uiso 1 1 calc R . .
C45 C 0.37504(16) 0.46696(11) 0.21474(10) 0.0422(6) Uani 1 1 d . . .
C46 C 0.33614(18) 0.52050(12) 0.18176(11) 0.0549(8) Uani 1 1 d . . .
H46 H 0.2893 0.5140 0.1477 0.066 Uiso 1 1 calc R . .
C50 C 0.44345(19) 0.47774(13) 0.26565(11) 0.0592(8) Uani 1 1 d . . .
H50 H 0.4697 0.4422 0.2884 0.071 Uiso 1 1 calc R . .
C47 C 0.3669(2) 0.58361(13) 0.19944(14) 0.0742(10) Uani 1 1 d . . .
H47 H 0.3413 0.6194 0.1769 0.089 Uiso 1 1 calc R . .
C48 C 0.4342(2) 0.59398(15) 0.24954(14) 0.0813(11) Uani 1 1 d . . .
H48 H 0.4540 0.6366 0.2612 0.098 Uiso 1 1 calc R . .
C49 C 0.4728(2) 0.54120(15) 0.28266(13) 0.0761(10) Uani 1 1 d . . .
H49 H 0.5190 0.5482 0.3168 0.091 Uiso 1 1 calc R . .
N1 N 0.24977(14) 0.42439(10) 0.04752(8) 0.0500(6) Uani 1 1 d . . .
C58 C 0.37247(18) 0.42419(13) -0.00786(11) 0.0566(8) Uani 1 1 d . . .
C59 C 0.33719(18) 0.40424(14) 0.03752(11) 0.0564(8) Uani 1 1 d . . .
H59 H 0.3779 0.3749 0.0623 0.068 Uiso 1 1 calc R . .
C51 C 0.19075(19) 0.46716(12) 0.01042(11) 0.0573(8) Uani 1 1 d . . .
H51 H 0.1301 0.4829 0.0173 0.069 Uiso 1 1 calc R . .
C10 C -0.1478(2) 0.29565(17) -0.07239(11) 0.0710(10) Uani 1 1 d . . .
H10 H -0.2039 0.2989 -0.1031 0.085 Uiso 1 1 calc R . .
C28 C 0.2323(3) 0.19180(15) 0.36120(12) 0.0801(10) Uani 1 1 d . . .
H28 H 0.2769 0.1559 0.3682 0.096 Uiso 1 1 calc R . .
C53 C 0.3108(2) 0.46669(13) -0.04613(11) 0.0580(8) Uani 1 1 d . . .
C52 C 0.2159(2) 0.48788(13) -0.03596(12) 0.0665(9) Uani 1 1 d . . .
H52 H 0.1716 0.5155 -0.0608 0.080 Uiso 1 1 calc R . .
C64 C 0.0245(2) 0.03032(15) 0.00907(14) 0.0796(10) Uani 1 1 d . . .
C63 C 0.0239(2) 0.05724(17) 0.05988(14) 0.0879(11) Uani 1 1 d . . .
H63 H 0.0557 0.0974 0.0712 0.105 Uiso 1 1 calc R . .
C65 C 0.0740(3) 0.06197(17) -0.02784(16) 0.1008(13) Uani 1 1 d . . .
H65 H 0.1076 0.1019 -0.0178 0.121 Uiso 1 1 calc R . .
C60 C 0.7293(3) 0.5445(2) 0.2490(2) 0.151(2) Uani 1 1 d . . .
H60A H 0.7009 0.5369 0.2104 0.226 Uiso 1 1 calc R . .
H60B H 0.7012 0.5131 0.2698 0.226 Uiso 1 1 calc R . .
H60C H 0.8030 0.5397 0.2578 0.226 Uiso 1 1 calc R . .
C62 C -0.0219(3) 0.0250(2) 0.09090(16) 0.1116(14) Uani 1 1 d . . .
H62 H -0.0210 0.0430 0.1251 0.134 Uiso 1 1 calc R . .
C66 C 0.0733(3) 0.0354(2) -0.07681(17) 0.1099(13) Uani 1 1 d . . .
H66 H 0.1057 0.0562 -0.1008 0.132 Uiso 1 1 calc R . .
C61 C 0.7041(2) 0.60926(15) 0.26254(12) 0.0676(9) Uani 1 1 d . . .
N3 N 0.6848(2) 0.65998(14) 0.27249(12) 0.0951(10) Uani 1 1 d . . .
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
_geom_angle_publ_flag
C55 C54 C53 119.5(3) . . ?
C55 C54 H54 120.2 . . ?
C53 C54 H54 120.2 . . ?
C54 C55 C56 121.4(3) . . ?
C54 C55 H55 119.3 . . ?
C56 C55 H55 119.3 . . ?
C57 C56 C55 120.1(3) . . ?
C57 C56 H56 119.9 . . ?
C55 C56 H56 119.9 . . ?
C56 C57 C58 120.3(3) . . ?
C56 C57 H57 119.8 . . ?
C58 C57 H57 119.8 . . ?
C74 C75 N2 95.2(4) . . ?
C74 C75 H75 132.4 . . ?
N2 C75 H75 132.4 . . ?
C67 N2 C75 135.5(6) . . ?
N2 C67 C68 128.1(5) . . ?
N2 C67 H67 116.0 . . ?
C68 C67 H67 116.0 . . ?
C69 C68 C67 96.6(4) . . ?
C69 C68 H68 131.7 . . ?
C67 C68 H68 131.7 . . ?
C74 C69 C70 120.0 . . ?
C74 C69 C68 129.0(3) . . ?
C70 C69 C68 111.0(3) . . ?
C75 C74 C73 104.6(3) . . ?
C75 C74 C69 135.3(3) . . ?
C73 C74 C69 120.0 . . ?
C74 C73 C72 120.0 . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
C71 C72 C73 120.0 . . ?
C71 C72 H72 120.0 . . ?
C73 C72 H72 120.0 . . ?
C72 C71 C70 120.0 . . ?
C72 C71 H71 120.0 . . ?
C70 C71 H71 120.0 . . ?
C71 C70 C69 120.0 . . ?
C71 C70 H70 120.0 . . ?
C69 C70 H70 120.0 . . ?
Cu1 Br1 Cu2 82.985(11) . . ?
N1 Cu1 P4 106.49(5) . . ?
N1 Cu1 P1 106.89(6) . . ?
P4 Cu1 P1 120.44(2) . . ?
N1 Cu1 Br1 103.30(5) . . ?
P4 Cu1 Br1 108.134(19) . . ?
P1 Cu1 Br1 110.184(18) . . ?
P3 Cu2 P2 111.40(2) . . ?
P3 Cu2 Br2 110.64(2) . . ?
P2 Cu2 Br2 107.860(19) . . ?
P3 Cu2 Br1 113.629(19) . . ?
P2 Cu2 Br1 110.419(19) . . ?
Br2 Cu2 Br1 102.411(13) . . ?
C7 P1 C1 101.96(10) . . ?
C7 P1 C13 104.75(10) . . ?
C1 P1 C13 102.76(10) . . ?
C7 P1 Cu1 115.67(8) . . ?
C1 P1 Cu1 113.98(7) . . ?
C13 P1 Cu1 115.95(7) . . ?
C20 P2 C14 100.46(9) . . ?
C20 P2 C13 102.51(10) . . ?
C14 P2 C13 103.26(10) . . ?
C20 P2 Cu2 118.60(7) . . ?
C14 P2 Cu2 114.47(7) . . ?
C13 P2 Cu2 115.29(7) . . ?
C45 P4 C39 103.23(10) . . ?
C45 P4 C38 104.90(11) . . ?
C39 P4 C38 101.23(10) . . ?
C45 P4 Cu1 116.67(7) . . ?
C39 P4 Cu1 114.18(7) . . ?
C38 P4 Cu1 114.80(7) . . ?
C32 P3 C26 102.81(11) . . ?
C32 P3 C38 102.33(10) . . ?
C26 P3 C38 101.89(10) . . ?
C32 P3 Cu2 119.77(7) . . ?
C26 P3 Cu2 110.72(7) . . ?
C38 P3 Cu2 117.01(7) . . ?
C2 C1 C6 117.8(2) . . ?
C2 C1 P1 124.93(19) . . ?
C6 C1 P1 117.12(19) . . ?
C1 C2 C3 120.8(3) . . ?
C1 C2 H2 119.6 . . ?
C3 C2 H2 119.6 . . ?
C1 C6 C5 120.1(3) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C5 C4 C3 119.4(3) . . ?
C5 C4 H4 120.3 . . ?
C3 C4 H4 120.3 . . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C4 C5 C6 121.3(3) . . ?
C4 C5 H5 119.3 . . ?
C6 C5 H5 119.3 . . ?
C12 C7 C8 118.0(2) . . ?
C12 C7 P1 119.59(17) . . ?
C8 C7 P1 122.39(18) . . ?
C9 C8 C7 120.1(2) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C7 C12 C11 120.7(2) . . ?
C7 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C10 C9 C8 120.7(3) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C10 C11 C12 120.3(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C19 C14 C15 118.2(2) . . ?
C19 C14 P2 116.59(17) . . ?
C15 C14 P2 125.25(18) . . ?
C14 C15 C16 120.6(2) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C18 C17 C16 119.9(3) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C16 C15 120.2(2) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C18 C19 C14 120.7(2) . . ?
C18 C19 H19 119.7 . . ?
C14 C19 H19 119.7 . . ?
C17 C18 C19 120.5(3) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
P1 C13 P2 113.81(11) . . ?
P1 C13 H13A 108.8 . . ?
P2 C13 H13A 108.8 . . ?
P1 C13 H13B 108.8 . . ?
P2 C13 H13B 108.8 . . ?
H13A C13 H13B 107.7 . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C25 C20 C21 118.63(19) . . ?
C25 C20 P2 119.16(16) . . ?
C21 C20 P2 122.21(16) . . ?
C20 C25 C24 120.8(2) . . ?
C20 C25 H25 119.6 . . ?
C24 C25 H25 119.6 . . ?
C24 C23 C22 120.1(2) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 119.9 . . ?
C23 C22 C21 120.2(2) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C23 C24 C25 120.2(2) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C27 C26 C31 116.8(2) . . ?
C27 C26 P3 124.95(19) . . ?
C31 C26 P3 118.12(19) . . ?
C26 C31 C30 120.6(3) . . ?
C26 C31 H31 119.7 . . ?
C30 C31 H31 119.7 . . ?
C29 C30 C31 120.5(3) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C26 C27 C28 121.1(3) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 H27 119.5 . . ?
C28 C29 C30 120.3(3) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C34 C33 C32 120.7(2) . . ?
C34 C33 H33 119.6 . . ?
C32 C33 H33 119.6 . . ?
C33 C32 C37 118.3(2) . . ?
C33 C32 P3 118.89(17) . . ?
C37 C32 P3 122.78(18) . . ?
C36 C37 C32 120.9(3) . . ?
C36 C37 H37 119.6 . . ?
C32 C37 H37 119.6 . . ?
C35 C34 C33 120.1(3) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C35 C36 C37 119.5(3) . . ?
C35 C36 H36 120.2 . . ?
C37 C36 H36 120.2 . . ?
C34 C35 C36 120.4(3) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
P4 C38 P3 114.24(11) . . ?
P4 C38 H38A 108.7 . . ?
P3 C38 H38A 108.7 . . ?
P4 C38 H38B 108.7 . . ?
P3 C38 H38B 108.7 . . ?
H38A C38 H38B 107.6 . . ?
C40 C39 C44 117.7(2) . . ?
C40 C39 P4 117.69(16) . . ?
C44 C39 P4 124.49(18) . . ?
C39 C44 C43 120.6(2) . . ?
C39 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C39 C40 C41 121.4(2) . . ?
C39 C40 H40 119.3 . . ?
C41 C40 H40 119.3 . . ?
C42 C43 C44 120.9(2) . . ?
C42 C43 H43 119.6 . . ?
C44 C43 H43 119.6 . . ?
C42 C41 C40 119.4(3) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
C43 C42 C41 120.0(2) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C46 C45 C50 119.1(2) . . ?
C46 C45 P4 117.69(17) . . ?
C50 C45 P4 123.23(18) . . ?
C47 C46 C45 120.0(2) . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C49 C50 C45 120.0(2) . . ?
C49 C50 H50 120.0 . . ?
C45 C50 H50 120.0 . . ?
C48 C47 C46 120.7(3) . . ?
C48 C47 H47 119.6 . . ?
C46 C47 H47 119.6 . . ?
C47 C48 C49 119.7(3) . . ?
C47 C48 H48 120.2 . . ?
C49 C48 H48 120.2 . . ?
C48 C49 C50 120.5(3) . . ?
C48 C49 H49 119.8 . . ?
C50 C49 H49 119.8 . . ?
C59 N1 C51 116.9(2) . . ?
C59 N1 Cu1 119.54(16) . . ?
C51 N1 Cu1 123.06(17) . . ?
C53 C58 C59 118.4(2) . . ?
C53 C58 C57 119.7(3) . . ?
C59 C58 C57 121.9(2) . . ?
N1 C59 C58 124.4(2) . . ?
N1 C59 H59 117.8 . . ?
C58 C59 H59 117.8 . . ?
C52 C51 N1 123.6(2) . . ?
C52 C51 H51 118.2 . . ?
N1 C51 H51 118.2 . . ?
C11 C10 C9 120.1(2) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C29 C28 C27 120.7(3) . . ?
C29 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C58 C53 C54 118.9(3) . . ?
C58 C53 C52 117.5(2) . . ?
C54 C53 C52 123.6(3) . . ?
C51 C52 C53 119.2(2) . . ?
C51 C52 H52 120.4 . . ?
C53 C52 H52 120.4 . . ?
C63 C64 C64 121.8(4) . 3 ?
C63 C64 C65 122.2(3) . . ?
C64 C64 C65 116.0(4) 3 . ?
C62 C63 C64 118.1(3) . . ?
C62 C63 H63 120.9 . . ?
C64 C63 H63 120.9 . . ?
C66 C65 C64 121.3(3) . . ?
C66 C65 H65 119.3 . . ?
C64 C65 H65 119.3 . . ?
C61 C60 H60A 109.5 . . ?
C61 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C61 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C63 C62 C66 124.7(4) . 3 ?
C63 C62 H62 117.6 . . ?
C66 C62 H62 117.6 3 . ?
C65 C66 C62 118.0(4) . 3 ?
C65 C66 H66 121.0 . . ?
C62 C66 H66 121.0 3 . ?
N3 C61 C60 179.1(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C54 C55 1.368(5) . ?
C54 C53 1.421(4) . ?
C54 H54 0.9300 . ?
C55 C56 1.383(5) . ?
C55 H55 0.9300 . ?
C56 C57 1.361(5) . ?
C56 H56 0.9300 . ?
C57 C58 1.412(4) . ?
C57 H57 0.9300 . ?
C75 C74 1.276(5) . ?
C75 N2 1.363(8) . ?
C75 H75 0.9300 . ?
N2 C67 1.334(7) . ?
C67 C68 1.413(8) . ?
C67 H67 0.9300 . ?
C68 C69 1.397(7) . ?
C68 H68 0.9300 . ?
C69 C74 1.3900 . ?
C69 C70 1.3900 . ?
C74 C73 1.3900 . ?
C73 C72 1.3900 . ?
C73 H73 0.9300 . ?
C72 C71 1.3900 . ?
C72 H72 0.9300 . ?
C71 C70 1.3900 . ?
C71 H71 0.9300 . ?
C70 H70 0.9300 . ?
Br1 Cu1 2.4934(4) . ?
Br1 Cu2 2.5827(4) . ?
Cu1 N1 2.129(2) . ?
Cu1 P4 2.2578(6) . ?
Cu1 P1 2.2595(6) . ?
Cu2 P3 2.2644(6) . ?
Cu2 P2 2.2691(6) . ?
Cu2 Br2 2.4727(4) . ?
Cu1 Cu2 3.364 . ?
P1 C7 1.827(2) . ?
P1 C1 1.829(2) . ?
P1 C13 1.834(2) . ?
P2 C20 1.824(2) . ?
P2 C14 1.832(2) . ?
P2 C13 1.845(2) . ?
P4 C45 1.826(2) . ?
P4 C39 1.828(2) . ?
P4 C38 1.832(2) . ?
P3 C32 1.828(2) . ?
P3 C26 1.830(2) . ?
P3 C38 1.847(2) . ?
C1 C2 1.379(3) . ?
C1 C6 1.382(4) . ?
C2 C3 1.393(4) . ?
C2 H2 0.9300 . ?
C6 C5 1.395(4) . ?
C6 H6 0.9300 . ?
C4 C5 1.348(4) . ?
C4 C3 1.359(4) . ?
C4 H4 0.9300 . ?
C3 H3 0.9300 . ?
C5 H5 0.9300 . ?
C7 C12 1.379(3) . ?
C7 C8 1.391(3) . ?
C8 C9 1.383(3) . ?
C8 H8 0.9300 . ?
C12 C11 1.387(3) . ?
C12 H12 0.9300 . ?
C9 C10 1.356(4) . ?
C9 H9 0.9300 . ?
C11 C10 1.353(4) . ?
C11 H11 0.9300 . ?
C14 C19 1.386(3) . ?
C14 C15 1.386(3) . ?
C15 C16 1.389(4) . ?
C15 H15 0.9300 . ?
C17 C18 1.364(4) . ?
C17 C16 1.368(4) . ?
C17 H17 0.9300 . ?
C16 H16 0.9300 . ?
C19 C18 1.381(4) . ?
C19 H19 0.9300 . ?
C18 H18 0.9300 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C21 C22 1.386(3) . ?
C21 C20 1.395(3) . ?
C21 H21 0.9300 . ?
C20 C25 1.370(3) . ?
C25 C24 1.388(3) . ?
C25 H25 0.9300 . ?
C23 C24 1.358(4) . ?
C23 C22 1.370(4) . ?
C23 H23 0.9300 . ?
C22 H22 0.9300 . ?
C24 H24 0.9300 . ?
C26 C27 1.382(3) . ?
C26 C31 1.393(3) . ?
C31 C30 1.394(4) . ?
C31 H31 0.9300 . ?
C30 C29 1.349(4) . ?
C30 H30 0.9300 . ?
C27 C28 1.391(4) . ?
C27 H27 0.9300 . ?
C29 C28 1.336(5) . ?
C29 H29 0.9300 . ?
C33 C34 1.377(4) . ?
C33 C32 1.382(3) . ?
C33 H33 0.9300 . ?
C32 C37 1.384(3) . ?
C37 C36 1.380(4) . ?
C37 H37 0.9300 . ?
C34 C35 1.364(4) . ?
C34 H34 0.9300 . ?
C36 C35 1.371(4) . ?
C36 H36 0.9300 . ?
C35 H35 0.9300 . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C40 1.383(3) . ?
C39 C44 1.384(3) . ?
C44 C43 1.386(4) . ?
C44 H44 0.9300 . ?
C40 C41 1.394(3) . ?
C40 H40 0.9300 . ?
C43 C42 1.356(4) . ?
C43 H43 0.9300 . ?
C41 C42 1.371(4) . ?
C41 H41 0.9300 . ?
C42 H42 0.9300 . ?
C45 C46 1.384(3) . ?
C45 C50 1.385(3) . ?
C46 C47 1.383(4) . ?
C46 H46 0.9300 . ?
C50 C49 1.382(4) . ?
C50 H50 0.9300 . ?
C47 C48 1.362(4) . ?
C47 H47 0.9300 . ?
C48 C49 1.373(4) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
N1 C59 1.324(3) . ?
N1 C51 1.366(3) . ?
C58 C53 1.393(4) . ?
C58 C59 1.401(4) . ?
C59 H59 0.9300 . ?
C51 C52 1.359(4) . ?
C51 H51 0.9300 . ?
C10 H10 0.9300 . ?
C28 H28 0.9300 . ?
C53 C52 1.427(4) . ?
C52 H52 0.9300 . ?
C64 C63 1.389(5) . ?
C64 C64 1.414(6) 3 ?
C64 C65 1.424(5) . ?
C63 C62 1.288(5) . ?
C63 H63 0.9300 . ?
C65 C66 1.340(5) . ?
C65 H65 0.9300 . ?
C60 C61 1.420(5) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C62 C66 1.405(5) 3 ?
C62 H62 0.9300 . ?
C66 C62 1.405(5) 3 ?
C66 H66 0.9300 . ?
C61 N3 1.105(4) . ?
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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C53 C54 C55 C56 -1.1(5) . . . . ?
C54 C55 C56 C57 1.0(6) . . . . ?
C55 C56 C57 C58 -0.9(5) . . . . ?
C74 C75 N2 C67 -4.7(8) . . . . ?
C75 N2 C67 C68 -0.5(10) . . . . ?
N2 C67 C68 C69 4.2(7) . . . . ?
C67 C68 C69 C74 -3.0(5) . . . . ?
C67 C68 C69 C70 179.1(3) . . . . ?
N2 C75 C74 C73 -178.5(3) . . . . ?
N2 C75 C74 C69 6.3(5) . . . . ?
C70 C69 C74 C75 174.7(4) . . . . ?
C68 C69 C74 C75 -3.1(5) . . . . ?
C70 C69 C74 C73 0.0 . . . . ?
C68 C69 C74 C73 -177.8(3) . . . . ?
C75 C74 C73 C72 -176.2(3) . . . . ?
C69 C74 C73 C72 0.0 . . . . ?
C74 C73 C72 C71 0.0 . . . . ?
C73 C72 C71 C70 0.0 . . . . ?
C72 C71 C70 C69 0.0 . . . . ?
C74 C69 C70 C71 0.0 . . . . ?
C68 C69 C70 C71 178.2(3) . . . . ?
Cu2 Br1 Cu1 N1 179.82(5) . . . . ?
Cu2 Br1 Cu1 P4 -67.58(2) . . . . ?
Cu2 Br1 Cu1 P1 65.93(2) . . . . ?
Cu1 Br1 Cu2 P3 61.11(2) . . . . ?
Cu1 Br1 Cu2 P2 -64.890(19) . . . . ?
Cu1 Br1 Cu2 Br2 -179.536(12) . . . . ?
N1 Cu1 P1 C7 -59.41(10) . . . . ?
P4 Cu1 P1 C7 179.08(8) . . . . ?
Br1 Cu1 P1 C7 52.17(8) . . . . ?
N1 Cu1 P1 C1 58.32(10) . . . . ?
P4 Cu1 P1 C1 -63.18(9) . . . . ?
Br1 Cu1 P1 C1 169.90(8) . . . . ?
N1 Cu1 P1 C13 177.35(9) . . . . ?
P4 Cu1 P1 C13 55.85(8) . . . . ?
Br1 Cu1 P1 C13 -71.07(8) . . . . ?
P3 Cu2 P2 C20 177.14(8) . . . . ?
Br2 Cu2 P2 C20 55.55(9) . . . . ?
Br1 Cu2 P2 C20 -55.61(9) . . . . ?
P3 Cu2 P2 C14 58.77(8) . . . . ?
Br2 Cu2 P2 C14 -62.83(8) . . . . ?
Br1 Cu2 P2 C14 -173.99(7) . . . . ?
P3 Cu2 P2 C13 -60.82(8) . . . . ?
Br2 Cu2 P2 C13 177.58(7) . . . . ?
Br1 Cu2 P2 C13 66.42(8) . . . . ?
N1 Cu1 P4 C45 64.85(11) . . . . ?
P1 Cu1 P4 C45 -173.45(9) . . . . ?
Br1 Cu1 P4 C45 -45.60(9) . . . . ?
N1 Cu1 P4 C39 -55.58(10) . . . . ?
P1 Cu1 P4 C39 66.12(8) . . . . ?
Br1 Cu1 P4 C39 -166.02(8) . . . . ?
N1 Cu1 P4 C38 -171.85(10) . . . . ?
P1 Cu1 P4 C38 -50.15(9) . . . . ?
Br1 Cu1 P4 C38 77.70(8) . . . . ?
P2 Cu2 P3 C32 -166.68(9) . . . . ?
Br2 Cu2 P3 C32 -46.71(10) . . . . ?
Br1 Cu2 P3 C32 67.84(9) . . . . ?
P2 Cu2 P3 C26 -47.38(9) . . . . ?
Br2 Cu2 P3 C26 72.59(9) . . . . ?
Br1 Cu2 P3 C26 -172.86(8) . . . . ?
P2 Cu2 P3 C38 68.73(8) . . . . ?
Br2 Cu2 P3 C38 -171.30(8) . . . . ?
Br1 Cu2 P3 C38 -56.75(8) . . . . ?
C7 P1 C1 C2 -126.0(2) . . . . ?
C13 P1 C1 C2 -17.6(2) . . . . ?
Cu1 P1 C1 C2 108.65(19) . . . . ?
C7 P1 C1 C6 58.0(2) . . . . ?
C13 P1 C1 C6 166.38(18) . . . . ?
Cu1 P1 C1 C6 -67.33(19) . . . . ?
C6 C1 C2 C3 2.2(4) . . . . ?
P1 C1 C2 C3 -173.8(2) . . . . ?
C2 C1 C6 C5 -0.8(4) . . . . ?
P1 C1 C6 C5 175.5(2) . . . . ?
C5 C4 C3 C2 0.4(5) . . . . ?
C1 C2 C3 C4 -2.0(4) . . . . ?
C3 C4 C5 C6 1.0(5) . . . . ?
C1 C6 C5 C4 -0.8(5) . . . . ?
C1 P1 C7 C12 -121.6(2) . . . . ?
C13 P1 C7 C12 131.6(2) . . . . ?
Cu1 P1 C7 C12 2.6(2) . . . . ?
C1 P1 C7 C8 58.5(2) . . . . ?
C13 P1 C7 C8 -48.3(2) . . . . ?
Cu1 P1 C7 C8 -177.28(18) . . . . ?
C12 C7 C8 C9 0.0(4) . . . . ?
P1 C7 C8 C9 179.9(2) . . . . ?
C8 C7 C12 C11 -1.0(4) . . . . ?
P1 C7 C12 C11 179.1(2) . . . . ?
C7 C8 C9 C10 0.0(4) . . . . ?
C7 C12 C11 C10 2.0(4) . . . . ?
C20 P2 C14 C19 -66.65(18) . . . . ?
C13 P2 C14 C19 -172.29(16) . . . . ?
Cu2 P2 C14 C19 61.59(17) . . . . ?
C20 P2 C14 C15 114.1(2) . . . . ?
C13 P2 C14 C15 8.5(2) . . . . ?
Cu2 P2 C14 C15 -117.63(18) . . . . ?
C19 C14 C15 C16 0.8(3) . . . . ?
P2 C14 C15 C16 179.97(18) . . . . ?
C18 C17 C16 C15 -1.1(4) . . . . ?
C14 C15 C16 C17 0.7(4) . . . . ?
C15 C14 C19 C18 -1.9(3) . . . . ?
P2 C14 C19 C18 178.84(18) . . . . ?
C16 C17 C18 C19 0.0(4) . . . . ?
C14 C19 C18 C17 1.5(4) . . . . ?
C7 P1 C13 P2 -75.48(13) . . . . ?
C1 P1 C13 P2 178.30(10) . . . . ?
Cu1 P1 C13 P2 53.30(12) . . . . ?
C20 P2 C13 P1 78.72(12) . . . . ?
C14 P2 C13 P1 -177.20(10) . . . . ?
Cu2 P2 C13 P1 -51.60(12) . . . . ?
C22 C21 C20 C25 1.7(4) . . . . ?
C22 C21 C20 P2 -177.91(19) . . . . ?
C14 P2 C20 C25 137.0(2) . . . . ?
C13 P2 C20 C25 -116.8(2) . . . . ?
Cu2 P2 C20 C25 11.5(2) . . . . ?
C14 P2 C20 C21 -43.5(2) . . . . ?
C13 P2 C20 C21 62.8(2) . . . . ?
Cu2 P2 C20 C21 -168.95(17) . . . . ?
C21 C20 C25 C24 -0.9(4) . . . . ?
P2 C20 C25 C24 178.7(2) . . . . ?
C24 C23 C22 C21 0.0(4) . . . . ?
C20 C21 C22 C23 -1.2(4) . . . . ?
C22 C23 C24 C25 0.8(4) . . . . ?
C20 C25 C24 C23 -0.3(4) . . . . ?
C32 P3 C26 C27 -106.2(2) . . . . ?
C38 P3 C26 C27 -0.4(2) . . . . ?
Cu2 P3 C26 C27 124.76(19) . . . . ?
C32 P3 C26 C31 77.5(2) . . . . ?
C38 P3 C26 C31 -176.70(19) . . . . ?
Cu2 P3 C26 C31 -51.5(2) . . . . ?
C27 C26 C31 C30 -0.7(4) . . . . ?
P3 C26 C31 C30 175.8(2) . . . . ?
C26 C31 C30 C29 -0.3(4) . . . . ?
C31 C26 C27 C28 2.0(4) . . . . ?
P3 C26 C27 C28 -174.3(2) . . . . ?
C31 C30 C29 C28 0.1(5) . . . . ?
C34 C33 C32 C37 1.5(4) . . . . ?
C34 C33 C32 P3 -176.4(2) . . . . ?
C26 P3 C32 C33 -141.1(2) . . . . ?
C38 P3 C32 C33 113.5(2) . . . . ?
Cu2 P3 C32 C33 -17.9(2) . . . . ?
C26 P3 C32 C37 41.0(2) . . . . ?
C38 P3 C32 C37 -64.4(2) . . . . ?
Cu2 P3 C32 C37 164.25(19) . . . . ?
C33 C32 C37 C36 -1.8(4) . . . . ?
P3 C32 C37 C36 176.1(2) . . . . ?
C32 C33 C34 C35 -1.0(5) . . . . ?
C32 C37 C36 C35 1.5(5) . . . . ?
C33 C34 C35 C36 0.7(5) . . . . ?
C37 C36 C35 C34 -0.9(5) . . . . ?
C45 P4 C38 P3 74.15(13) . . . . ?
C39 P4 C38 P3 -178.73(11) . . . . ?
Cu1 P4 C38 P3 -55.24(13) . . . . ?
C32 P3 C38 P4 -87.69(13) . . . . ?
C26 P3 C38 P4 166.17(11) . . . . ?
Cu2 P3 C38 P4 45.30(13) . . . . ?
C45 P4 C39 C40 175.12(18) . . . . ?
C38 P4 C39 C40 66.71(19) . . . . ?
Cu1 P4 C39 C40 -57.21(19) . . . . ?
C45 P4 C39 C44 -8.9(2) . . . . ?
C38 P4 C39 C44 -117.3(2) . . . . ?
Cu1 P4 C39 C44 118.79(19) . . . . ?
C40 C39 C44 C43 -0.1(4) . . . . ?
P4 C39 C44 C43 -176.2(2) . . . . ?
C44 C39 C40 C41 -0.1(4) . . . . ?
P4 C39 C40 C41 176.17(19) . . . . ?
C39 C44 C43 C42 0.1(4) . . . . ?
C39 C40 C41 C42 0.4(4) . . . . ?
C44 C43 C42 C41 0.2(4) . . . . ?
C40 C41 C42 C43 -0.4(4) . . . . ?
C39 P4 C45 C46 114.5(2) . . . . ?
C38 P4 C45 C46 -139.84(19) . . . . ?
Cu1 P4 C45 C46 -11.6(2) . . . . ?
C39 P4 C45 C50 -65.6(2) . . . . ?
C38 P4 C45 C50 40.1(2) . . . . ?
Cu1 P4 C45 C50 168.35(19) . . . . ?
C50 C45 C46 C47 1.0(4) . . . . ?
P4 C45 C46 C47 -179.1(2) . . . . ?
C46 C45 C50 C49 -0.6(4) . . . . ?
P4 C45 C50 C49 179.5(2) . . . . ?
C45 C46 C47 C48 -1.0(5) . . . . ?
C46 C47 C48 C49 0.6(5) . . . . ?
C47 C48 C49 C50 -0.2(5) . . . . ?
C45 C50 C49 C48 0.3(5) . . . . ?
P4 Cu1 N1 C59 51.45(19) . . . . ?
P1 Cu1 N1 C59 -78.50(18) . . . . ?
Br1 Cu1 N1 C59 165.24(17) . . . . ?
P4 Cu1 N1 C51 -137.08(17) . . . . ?
P1 Cu1 N1 C51 92.97(18) . . . . ?
Br1 Cu1 N1 C51 -23.28(19) . . . . ?
C56 C57 C58 C53 0.9(5) . . . . ?
C56 C57 C58 C59 179.9(3) . . . . ?
C51 N1 C59 C58 0.5(4) . . . . ?
Cu1 N1 C59 C58 172.5(2) . . . . ?
C53 C58 C59 N1 -1.8(4) . . . . ?
C57 C58 C59 N1 179.2(3) . . . . ?
C59 N1 C51 C52 1.9(4) . . . . ?
Cu1 N1 C51 C52 -169.8(2) . . . . ?
C12 C11 C10 C9 -2.0(5) . . . . ?
C8 C9 C10 C11 1.0(5) . . . . ?
C30 C29 C28 C27 1.2(5) . . . . ?
C26 C27 C28 C29 -2.3(4) . . . . ?
C59 C58 C53 C54 179.9(3) . . . . ?
C57 C58 C53 C54 -1.0(4) . . . . ?
C59 C58 C53 C52 0.9(4) . . . . ?
C57 C58 C53 C52 179.9(3) . . . . ?
C55 C54 C53 C58 1.2(5) . . . . ?
C55 C54 C53 C52 -179.8(3) . . . . ?
N1 C51 C52 C53 -2.8(4) . . . . ?
C58 C53 C52 C51 1.3(4) . . . . ?
C54 C53 C52 C51 -177.7(3) . . . . ?
C64 C64 C63 C62 0.7(6) 3 . . . ?
C65 C64 C63 C62 -179.4(3) . . . . ?
C63 C64 C65 C66 -179.7(3) . . . . ?
C64 C64 C65 C66 0.3(6) 3 . . . ?
C64 C63 C62 C66 -1.1(6) . . . 3 ?
C64 C65 C66 C62 0.0(5) . . . 3 ?
