#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:07:32 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179524 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/21/4342186.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_4342186
loop_
_publ_author_name
'Reger, Daniel L.'
'Pascui, Andrea E.'
'Smith, Mark D.'
'Jezierska, Julia'
'Ozarowski, Andrew'
_publ_section_title
;
 Syntheses, Structural, Magnetic, and Electron Paramagnetic Resonance
 Studies of Monobridged Cyanide and Azide Dinuclear Copper(II) Complexes:
 Antiferromagnetic Superexchange Interactions.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1487
_journal_page_last               1500
_journal_paper_doi               10.1021/ic502485p
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'C41 H36 Cu2 N17, 3(Cl O4), 3(C2 H3 N)'
_chemical_formula_sum            'C47 H45 Cl3 Cu2 N20 O12'
_chemical_formula_weight         1315.46
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-02-27
_audit_creation_method
;
  Olex2 1.2
  (compiled Dec  5 2012 16:17:34, GUI svn.r4385)
;
_cell_angle_alpha                94.415(4)
_cell_angle_beta                 93.120(5)
_cell_angle_gamma                109.393(4)
_cell_formula_units_Z            2
_cell_length_a                   10.0369(18)
_cell_length_b                   13.096(2)
_cell_length_c                   22.234(4)
_cell_measurement_reflns_used    1674
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      18.15
_cell_measurement_theta_min      2.35
_cell_volume                     2738.6(8)
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
olex2.solve (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0833
_diffrn_reflns_av_unetI/netI     0.1444
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            23665
_diffrn_reflns_theta_full        24.31
_diffrn_reflns_theta_max         24.31
_diffrn_reflns_theta_min         1.66
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           38.0
_diffrn_source_power             1.786
_diffrn_source_target            Mo
_diffrn_source_voltage           47.0
_exptl_absorpt_coefficient_mu    1.004
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.594
_refine_diff_density_min         -0.529
_refine_diff_density_rms         0.078
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.792
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     777
_refine_ls_number_reflns         8888
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      0.793
_refine_ls_R_factor_all          0.0929
_refine_ls_R_factor_gt           0.0497
_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)+(0.0126P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0888
_reflns_number_gt                5183
_reflns_number_total             8888
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic502485p_si_001.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 4342186--4342190.cif.'
_cod_original_cell_volume        2738.5(9)
_cod_database_code               4342186
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'
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
Cu1 Cu 0.55970(6) 0.58444(5) 0.60831(3) 0.01845(16) Uani 1 1 d . . .
C1 C 0.5123(5) 0.5205(3) 0.52465(17) 0.0206(12) Uani 0.50 1 d P . .
N1 N 0.5123(5) 0.5205(3) 0.52465(17) 0.0206(12) Uani 0.50 1 d P . .
C11 C 0.2323(5) 0.5837(4) 0.7177(2) 0.0231(13) Uani 1 1 d . . .
H11 H 0.1439 0.5453 0.7321 0.028 Uiso 1 1 calc R . .
C12 C 0.3221(5) 0.6833(4) 0.7409(2) 0.0259(13) Uani 1 1 d . . .
H12 H 0.3101 0.7279 0.7745 0.031 Uiso 1 1 calc R . .
C13 C 0.4351(5) 0.7056(4) 0.7050(2) 0.0227(13) Uani 1 1 d . . .
H13 H 0.5154 0.7703 0.7106 0.027 Uiso 1 1 calc R . .
C21 C 0.3000(5) 0.2808(4) 0.6449(2) 0.0233(13) Uani 1 1 d . . .
H21 H 0.2080 0.2311 0.6488 0.028 Uiso 1 1 calc R . .
C22 C 0.4220(5) 0.2570(4) 0.6446(2) 0.0281(14) Uani 1 1 d . . .
H22 H 0.4330 0.1884 0.6482 0.034 Uiso 1 1 calc R . .
C23 C 0.5270(5) 0.3551(4) 0.6380(2) 0.0255(13) Uani 1 1 d . . .
H23 H 0.6245 0.3639 0.6365 0.031 Uiso 1 1 calc R . .
C31 C 0.0265(5) 0.2868(4) 0.3083(2) 0.0210(12) Uani 1 1 d . . .
H31 H -0.0701 0.2443 0.3104 0.025 Uiso 1 1 calc R . .
C32 C 0.0861(5) 0.3311(4) 0.2581(2) 0.0243(13) Uani 1 1 d . . .
H32 H 0.0397 0.3271 0.2192 0.029 Uiso 1 1 calc R . .
C33 C 0.2283(5) 0.3830(4) 0.2765(2) 0.0212(12) Uani 1 1 d . . .
H33 H 0.2971 0.4197 0.2506 0.025 Uiso 1 1 calc R . .
C41 C 0.1880(6) 0.1342(4) 0.4544(2) 0.0250(13) Uani 1 1 d . . .
H41 H 0.0979 0.0900 0.4649 0.030 Uiso 1 1 calc R . .
C42 C 0.3119(6) 0.1149(4) 0.4635(2) 0.0280(14) Uani 1 1 d . . .
H42 H 0.3265 0.0551 0.4810 0.034 Uiso 1 1 calc R . .
C43 C 0.4131(5) 0.2020(4) 0.4416(2) 0.0246(13) Uani 1 1 d . . .
H43 H 0.5111 0.2110 0.4419 0.030 Uiso 1 1 calc R . .
C111 C 0.2358(5) 0.4485(4) 0.6315(2) 0.0190(12) Uani 1 1 d . . .
H111 H 0.1436 0.4046 0.6461 0.023 Uiso 1 1 calc R . .
C112 C 0.2067(5) 0.4642(4) 0.5653(2) 0.0163(12) Uani 1 1 d . . .
C113 C 0.2031(5) 0.5634(4) 0.5481(2) 0.0196(12) Uani 1 1 d . . .
H113 H 0.2205 0.6239 0.5775 0.023 Uiso 1 1 calc R . .
C114 C 0.1740(5) 0.5728(4) 0.4877(2) 0.0193(12) Uani 1 1 d . . .
H114 H 0.1720 0.6405 0.4759 0.023 Uiso 1 1 calc R . .
C115 C 0.1477(5) 0.4862(4) 0.4444(2) 0.0198(12) Uani 1 1 d . . .
H115 H 0.1277 0.4943 0.4031 0.024 Uiso 1 1 calc R . .
C116 C 0.1506(5) 0.3864(4) 0.4612(2) 0.0161(12) Uani 1 1 d U . .
C117 C 0.1778(4) 0.3767(4) 0.5220(2) 0.0140(11) Uani 1 1 d . . .
H117 H 0.1765 0.3084 0.5341 0.017 Uiso 1 1 calc R . .
C118 C 0.1213(5) 0.2879(4) 0.4155(2) 0.0189(12) Uani 1 1 d . . .
H118 H 0.0222 0.2390 0.4192 0.023 Uiso 1 1 calc R . .
N11 N 0.4167(4) 0.6252(3) 0.66210(17) 0.0184(10) Uani 1 1 d . . .
N12 N 0.2904(4) 0.5494(3) 0.67094(17) 0.0180(10) Uani 1 1 d . . .
N21 N 0.4743(4) 0.4353(3) 0.63400(16) 0.0179(10) Uani 1 1 d . . .
N22 N 0.3334(4) 0.3871(3) 0.63843(16) 0.0167(10) Uani 1 1 d . . .
N31 N 0.2573(4) 0.3751(3) 0.33542(16) 0.0177(10) Uani 1 1 d . . .
N32 N 0.1292(4) 0.3142(3) 0.35374(17) 0.0180(10) Uani 1 1 d . . .
N41 N 0.3555(4) 0.2703(3) 0.42050(17) 0.0190(10) Uani 1 1 d . . .
N42 N 0.2151(4) 0.2263(3) 0.42813(17) 0.0171(10) Uani 1 1 d . . .
Cu2 Cu 0.59569(7) 0.69675(5) 0.04030(3) 0.02428(18) Uani 1 1 d . . .
C2 C 0.5203(5) 0.5464(3) 0.0075(2) 0.0317(13) Uani 0.50 1 d P . .
N2 N 0.5203(5) 0.5464(3) 0.0075(2) 0.0317(13) Uani 0.50 1 d P . .
C51 C 0.3217(5) 0.8509(4) 0.1075(2) 0.0243(13) Uani 1 1 d . . .
H51 H 0.2471 0.8493 0.1323 0.029 Uiso 1 1 calc R . .
C52 C 0.4075(5) 0.9397(4) 0.0833(2) 0.0267(13) Uani 1 1 d . . .
H52 H 0.4039 1.0115 0.0868 0.032 Uiso 1 1 calc R . .
C53 C 0.5010(5) 0.9017(4) 0.0525(2) 0.0259(13) Uani 1 1 d . . .
H53 H 0.5756 0.9460 0.0317 0.031 Uiso 1 1 calc R . .
C61 C 0.4103(6) 0.5982(4) 0.1977(2) 0.0310(14) Uani 1 1 d . . .
H61 H 0.3331 0.5867 0.2223 0.037 Uiso 1 1 calc R . .
C62 C 0.5351(6) 0.5808(4) 0.2120(2) 0.0366(15) Uani 1 1 d . . .
H62 H 0.5598 0.5524 0.2473 0.044 Uiso 1 1 calc R . .
C63 C 0.6170(6) 0.6127(4) 0.1647(2) 0.0354(15) Uani 1 1 d . . .
H63 H 0.7110 0.6118 0.1629 0.042 Uiso 1 1 calc R . .
C71 C -0.0230(5) 0.1125(4) -0.0575(2) 0.0257(13) Uani 1 1 d . . .
H71 H -0.1099 0.0869 -0.0394 0.031 Uiso 1 1 calc R . .
C72 C 0.0061(5) 0.0734(4) -0.1122(2) 0.0289(14) Uani 1 1 d . . .
H72 H -0.0559 0.0162 -0.1398 0.035 Uiso 1 1 calc R . .
C73 C 0.1455(5) 0.1350(4) -0.1186(2) 0.0265(13) Uani 1 1 d . . .
H73 H 0.1955 0.1253 -0.1525 0.032 Uiso 1 1 calc R . .
C81 C 0.2176(6) 0.2206(4) 0.1193(2) 0.0277(14) Uani 1 1 d . . .
H81 H 0.1373 0.2068 0.1422 0.033 Uiso 1 1 calc R . .
C82 C 0.3475(6) 0.2192(4) 0.1389(2) 0.0303(14) Uani 1 1 d . . .
H82 H 0.3768 0.2045 0.1778 0.036 Uiso 1 1 calc R . .
C83 C 0.4285(6) 0.2438(4) 0.0896(2) 0.0290(14) Uani 1 1 d . . .
H83 H 0.5252 0.2491 0.0900 0.035 Uiso 1 1 calc R . .
C121 C 0.3060(5) 0.6565(4) 0.1064(2) 0.0218(13) Uani 1 1 d . . .
H121 H 0.2286 0.6537 0.1333 0.026 Uiso 1 1 calc R . .
C122 C 0.2419(5) 0.5715(4) 0.0528(2) 0.0167(12) Uani 1 1 d . . .
C123 C 0.2069(5) 0.6009(4) -0.0033(2) 0.0222(13) Uani 1 1 d . . .
H123 H 0.2264 0.6755 -0.0089 0.027 Uiso 1 1 calc R . .
C124 C 0.1446(5) 0.5229(4) -0.0504(2) 0.0224(13) Uani 1 1 d . . .
H124 H 0.1209 0.5439 -0.0884 0.027 Uiso 1 1 calc R . .
C125 C 0.1156(5) 0.4139(4) -0.0434(2) 0.0229(13) Uani 1 1 d . . .
H125 H 0.0721 0.3605 -0.0764 0.027 Uiso 1 1 calc R . .
C126 C 0.1501(5) 0.3827(4) 0.0121(2) 0.0179(12) Uani 1 1 d . . .
C127 C 0.2122(5) 0.4627(4) 0.0601(2) 0.0195(12) Uani 1 1 d . . .
H127 H 0.2343 0.4420 0.0984 0.023 Uiso 1 1 calc R . .
C128 C 0.1145(5) 0.2633(4) 0.0219(2) 0.0223(13) Uani 1 1 d . . .
H128 H 0.0238 0.2403 0.0419 0.027 Uiso 1 1 calc R . .
N51 N 0.4739(4) 0.7969(3) 0.05558(18) 0.0249(11) Uani 1 1 d . . .
N52 N 0.3617(4) 0.7669(3) 0.08980(18) 0.0219(10) Uani 1 1 d . . .
N61 N 0.5453(5) 0.6457(3) 0.12101(19) 0.0320(12) Uani 1 1 d . . .
N62 N 0.4173(4) 0.6350(3) 0.14210(19) 0.0279(11) Uani 1 1 d . . .
N71 N 0.2006(4) 0.2091(3) -0.07184(18) 0.0225(10) Uani 1 1 d . . .
N72 N 0.0934(4) 0.1934(3) -0.03449(17) 0.0194(10) Uani 1 1 d . . .
N81 N 0.3538(4) 0.2590(3) 0.04218(18) 0.0233(11) Uani 1 1 d . . .
N82 N 0.2230(4) 0.2448(3) 0.06181(18) 0.0207(10) Uani 1 1 d . . .
Cl1 Cl 0.80715(13) 0.15985(10) 0.12125(6) 0.0247(3) Uani 1 1 d D . .
O11 O 0.8120(4) 0.1018(3) 0.06438(15) 0.0449(11) Uani 1 1 d D . .
O12 O 0.8963(4) 0.2715(2) 0.12151(15) 0.0325(10) Uani 1 1 d D . .
O13 O 0.6652(3) 0.1535(3) 0.12937(17) 0.0456(11) Uani 1 1 d D . .
O14 O 0.8585(4) 0.1133(3) 0.16914(16) 0.0450(11) Uani 1 1 d D . .
Cl2 Cl 0.05964(17) 0.67245(13) 0.24145(7) 0.0451(4) Uani 1 1 d . . .
O21 O 0.0372(5) 0.6008(4) 0.18678(19) 0.0837(17) Uani 1 1 d . . .
O22 O 0.1638(5) 0.7737(3) 0.23396(19) 0.0778(16) Uani 1 1 d . . .
O23 O -0.0710(4) 0.6878(3) 0.25440(19) 0.0597(13) Uani 1 1 d . . .
O24 O 0.1074(4) 0.6251(3) 0.29015(19) 0.0615(13) Uani 1 1 d . . .
Cl3A Cl 0.7254(3) 0.0939(2) 0.41511(13) 0.0241(5) Uani 0.909(6) 1 d PD A 1
O31A O 0.7517(4) 0.1834(3) 0.3800(2) 0.0449(15) Uani 0.909(6) 1 d PD A 1
O32A O 0.6119(5) 0.0059(3) 0.3879(3) 0.066(2) Uani 0.909(6) 1 d PD A 1
O33A O 0.8479(5) 0.0630(4) 0.4218(3) 0.0452(17) Uani 0.909(6) 1 d PD A 1
O34A O 0.6913(6) 0.1261(5) 0.47280(18) 0.082(2) Uani 0.909(6) 1 d PD A 1
Cl3B Cl 0.738(3) 0.085(2) 0.4106(12) 0.0241(5) Uani 0.091(6) 1 d PD A 2
O31B O 0.712(4) 0.069(3) 0.3464(12) 0.034(9) Uiso 0.091(6) 1 d PD A 2
O32B O 0.609(4) 0.037(3) 0.4368(18) 0.034(9) Uiso 0.091(6) 1 d PD A 2
O33B O 0.841(5) 0.039(5) 0.429(3) 0.034(9) Uiso 0.091(6) 1 d PD A 2
O34B O 0.784(4) 0.199(2) 0.4271(17) 0.034(9) Uiso 0.091(6) 1 d PD A 2
N91 N 0.6067(5) 0.8610(4) 0.2163(2) 0.0438(14) Uani 1 1 d . . .
C91 C 0.5601(6) 0.9268(5) 0.2289(2) 0.0302(14) Uani 1 1 d . . .
C92 C 0.4982(6) 1.0101(4) 0.2449(2) 0.0486(18) Uani 1 1 d . . .
H92A H 0.5200 1.0640 0.2153 0.073 Uiso 1 1 calc R . .
H92B H 0.5376 1.0462 0.2853 0.073 Uiso 1 1 calc R . .
H92C H 0.3951 0.9764 0.2447 0.073 Uiso 1 1 calc R . .
N92 N 0.2246(5) 0.0979(4) 0.2754(2) 0.0504(15) Uani 1 1 d . . .
C93 C 0.1107(6) 0.0458(4) 0.2799(2) 0.0286(14) Uani 1 1 d . . .
C94 C -0.0356(5) -0.0207(4) 0.2848(2) 0.0389(16) Uani 1 1 d . . .
H94A H -0.0983 0.0011 0.2572 0.058 Uiso 1 1 calc R . .
H94B H -0.0597 -0.0107 0.3265 0.058 Uiso 1 1 calc R . .
H94C H -0.0475 -0.0975 0.2742 0.058 Uiso 1 1 calc R . .
N93 N 0.0337(5) 0.8238(4) 0.4064(3) 0.0695(19) Uani 1 1 d . . .
C95 C 0.1471(7) 0.8407(4) 0.3964(3) 0.0413(17) Uani 1 1 d . . .
C96 C 0.2929(6) 0.8646(5) 0.3825(3) 0.0527(18) Uani 1 1 d . . .
H96A H 0.3320 0.9405 0.3737 0.079 Uiso 1 1 calc R . .
H96B H 0.2969 0.8165 0.3472 0.079 Uiso 1 1 calc R . .
H96C H 0.3486 0.8530 0.4173 0.079 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 0.0033 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'
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'
N N 0.0061 0.0033 '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'
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
C1 Cu1 Cu1 0.70(14) . 2_666
C1 Cu1 N11 123.81(17) . .
C1 Cu1 N21 88.25(17) . .
C1 Cu1 N31 132.00(17) . 2_666
C1 Cu1 N41 89.54(17) . 2_666
N11 Cu1 Cu1 124.35(11) . 2_666
N21 Cu1 Cu1 87.87(11) . 2_666
N21 Cu1 N11 85.23(15) . .
N21 Cu1 N31 95.40(15) . 2_666
N31 Cu1 Cu1 131.45(11) 2_666 2_666
N31 Cu1 N11 104.18(15) 2_666 .
N41 Cu1 Cu1 89.91(11) 2_666 2_666
N41 Cu1 N11 96.52(15) 2_666 .
N41 Cu1 N21 177.70(16) 2_666 .
N41 Cu1 N31 85.64(15) 2_666 2_666
C1 C1 Cu1 177.0(6) 2_666 .
N1 C1 Cu1 177.0(6) 2_666 .
C12 C11 H11 126.0 . .
N12 C11 H11 126.0 . .
N12 C11 C12 107.9(5) . .
C11 C12 H12 127.5 . .
C11 C12 C13 105.0(5) . .
C13 C12 H12 127.5 . .
C12 C13 H13 124.3 . .
N11 C13 C12 111.3(4) . .
N11 C13 H13 124.3 . .
C22 C21 H21 126.3 . .
N22 C21 H21 126.3 . .
N22 C21 C22 107.5(4) . .
C21 C22 H22 127.6 . .
C21 C22 C23 104.9(5) . .
C23 C22 H22 127.6 . .
C22 C23 H23 124.1 . .
N21 C23 C22 111.7(5) . .
N21 C23 H23 124.1 . .
C32 C31 H31 126.2 . .
N32 C31 H31 126.2 . .
N32 C31 C32 107.6(4) . .
C31 C32 H32 127.4 . .
C31 C32 C33 105.2(4) . .
C33 C32 H32 127.4 . .
C32 C33 H33 124.2 . .
N31 C33 C32 111.7(4) . .
N31 C33 H33 124.2 . .
C42 C41 H41 126.1 . .
N42 C41 H41 126.1 . .
N42 C41 C42 107.8(5) . .
C41 C42 H42 127.6 . .
C41 C42 C43 104.9(4) . .
C43 C42 H42 127.6 . .
C42 C43 H43 124.4 . .
N41 C43 C42 111.2(5) . .
N41 C43 H43 124.4 . .
C112 C111 H111 107.3 . .
N12 C111 H111 107.3 . .
N12 C111 C112 113.8(4) . .
N12 C111 N22 108.9(4) . .
N22 C111 H111 107.3 . .
N22 C111 C112 111.9(4) . .
C113 C112 C111 121.6(4) . .
C117 C112 C111 118.9(4) . .
C117 C112 C113 119.4(4) . .
C112 C113 H113 120.4 . .
C114 C113 C112 119.2(5) . .
C114 C113 H113 120.4 . .
C113 C114 H114 119.3 . .
C115 C114 C113 121.4(5) . .
C115 C114 H114 119.3 . .
C114 C115 H115 120.1 . .
C114 C115 C116 119.8(4) . .
C116 C115 H115 120.1 . .
C115 C116 C118 122.2(4) . .
C117 C116 C115 118.7(4) . .
C117 C116 C118 119.1(4) . .
C112 C117 C116 121.4(4) . .
C112 C117 H117 119.3 . .
C116 C117 H117 119.3 . .
C116 C118 H118 107.3 . .
N32 C118 C116 113.4(4) . .
N32 C118 H118 107.3 . .
N32 C118 N42 109.4(4) . .
N42 C118 C116 111.9(4) . .
N42 C118 H118 107.3 . .
C13 N11 Cu1 131.5(3) . .
C13 N11 N12 105.0(4) . .
N12 N11 Cu1 120.8(3) . .
C11 N12 C111 129.0(4) . .
C11 N12 N11 110.7(4) . .
N11 N12 C111 120.3(4) . .
C23 N21 Cu1 130.9(3) . .
C23 N21 N22 104.2(4) . .
N22 N21 Cu1 123.5(3) . .
C21 N22 C111 127.5(4) . .
C21 N22 N21 111.7(4) . .
N21 N22 C111 120.7(4) . .
C33 N31 Cu1 134.4(3) . 2_666
C33 N31 N32 104.0(4) . .
N32 N31 Cu1 121.1(3) . 2_666
C31 N32 C118 129.4(4) . .
C31 N32 N31 111.5(4) . .
N31 N32 C118 119.1(4) . .
C43 N41 Cu1 131.7(3) . 2_666
C43 N41 N42 105.0(4) . .
N42 N41 Cu1 122.9(3) . 2_666
C41 N42 C118 128.9(4) . .
C41 N42 N41 111.1(4) . .
N41 N42 C118 119.5(4) . .
C2 Cu2 Cu2 1.39(15) . 2_665
C2 Cu2 N51 124.56(19) . .
C2 Cu2 N61 87.32(19) . .
C2 Cu2 N71 130.15(19) . 2_665
C2 Cu2 N81 90.16(19) . 2_665
N51 Cu2 Cu2 125.24(11) . 2_665
N61 Cu2 Cu2 86.19(12) . 2_665
N61 Cu2 N51 86.34(17) . .
N61 Cu2 N71 93.55(17) . 2_665
N61 Cu2 N81 177.29(17) . 2_665
N71 Cu2 Cu2 129.37(11) 2_665 2_665
N71 Cu2 N51 105.20(16) 2_665 .
N81 Cu2 Cu2 91.28(11) 2_665 2_665
N81 Cu2 N51 95.91(16) 2_665 .
N81 Cu2 N71 87.33(16) 2_665 2_665
C2 C2 Cu2 174.0(7) 2_665 .
N2 C2 Cu2 174.0(7) 2_665 .
C52 C51 H51 126.3 . .
N52 C51 H51 126.3 . .
N52 C51 C52 107.4(5) . .
C51 C52 H52 127.7 . .
C51 C52 C53 104.6(5) . .
C53 C52 H52 127.7 . .
C52 C53 H53 124.1 . .
N51 C53 C52 111.9(5) . .
N51 C53 H53 124.1 . .
C62 C61 H61 126.3 . .
N62 C61 H61 126.3 . .
N62 C61 C62 107.5(5) . .
C61 C62 H62 127.0 . .
C61 C62 C63 106.0(5) . .
C63 C62 H62 127.0 . .
C62 C63 H63 124.7 . .
N61 C63 C62 110.7(5) . .
N61 C63 H63 124.7 . .
C72 C71 H71 126.4 . .
N72 C71 H71 126.4 . .
N72 C71 C72 107.2(5) . .
C71 C72 H72 127.4 . .
C71 C72 C73 105.1(5) . .
C73 C72 H72 127.4 . .
C72 C73 H73 124.1 . .
N71 C73 C72 111.7(5) . .
N71 C73 H73 124.1 . .
C82 C81 H81 126.1 . .
N82 C81 H81 126.1 . .
N82 C81 C82 107.7(5) . .
C81 C82 H82 127.6 . .
C81 C82 C83 104.8(5) . .
C83 C82 H82 127.6 . .
C82 C83 H83 124.1 . .
N81 C83 C82 111.7(5) . .
N81 C83 H83 124.1 . .
C122 C121 H121 107.2 . .
N52 C121 H121 107.2 . .
N52 C121 C122 113.7(4) . .
N62 C121 H121 107.2 . .
N62 C121 C122 112.8(4) . .
N62 C121 N52 108.2(4) . .
C123 C122 C121 121.2(4) . .
C127 C122 C121 119.7(4) . .
C127 C122 C123 119.0(5) . .
C122 C123 H123 119.8 . .
C124 C123 C122 120.4(5) . .
C124 C123 H123 119.8 . .
C123 C124 H124 119.6 . .
C123 C124 C125 120.8(5) . .
C125 C124 H124 119.6 . .
C124 C125 H125 120.0 . .
C124 C125 C126 119.9(5) . .
C126 C125 H125 120.0 . .
C125 C126 C127 119.0(4) . .
C125 C126 C128 121.1(4) . .
C127 C126 C128 119.8(4) . .
C122 C127 C126 120.9(4) . .
C122 C127 H127 119.5 . .
C126 C127 H127 119.5 . .
C126 C128 H128 107.7 . .
N72 C128 C126 112.7(4) . .
N72 C128 H128 107.7 . .
N72 C128 N82 108.8(4) . .
N82 C128 C126 112.1(4) . .
N82 C128 H128 107.7 . .
C53 N51 Cu2 132.1(4) . .
C53 N51 N52 104.5(4) . .
N52 N51 Cu2 120.8(3) . .
C51 N52 C121 127.5(4) . .
C51 N52 N51 111.6(4) . .
N51 N52 C121 120.7(4) . .
C63 N61 Cu2 132.2(4) . .
N62 N61 Cu2 122.6(3) . .
N62 N61 C63 105.2(4) . .
C61 N62 C121 127.4(5) . .
C61 N62 N61 110.5(4) . .
N61 N62 C121 122.0(4) . .
C73 N71 Cu2 133.7(4) . 2_665
C73 N71 N72 104.2(4) . .
N72 N71 Cu2 120.1(3) . 2_665
C71 N72 C128 128.4(4) . .
C71 N72 N71 111.7(4) . .
N71 N72 C128 119.9(4) . .
C83 N81 Cu2 132.8(4) . 2_665
C83 N81 N82 104.3(4) . .
N82 N81 Cu2 122.7(3) . 2_665
C81 N82 C128 129.1(4) . .
C81 N82 N81 111.4(4) . .
N81 N82 C128 119.4(4) . .
O11 Cl1 O12 108.9(2) . .
O13 Cl1 O11 109.7(2) . .
O13 Cl1 O12 110.2(2) . .
O13 Cl1 O14 109.5(2) . .
O14 Cl1 O11 109.5(2) . .
O14 Cl1 O12 109.0(2) . .
O22 Cl2 O21 109.3(3) . .
O22 Cl2 O23 110.2(3) . .
O22 Cl2 O24 109.4(3) . .
O23 Cl2 O21 109.3(3) . .
O24 Cl2 O21 109.2(3) . .
O24 Cl2 O23 109.4(3) . .
O31A Cl3A O33A 110.2(3) . .
O32A Cl3A O31A 110.4(3) . .
O32A Cl3A O33A 109.6(3) . .
O32A Cl3A O34A 108.9(4) . .
O34A Cl3A O31A 108.2(3) . .
O34A Cl3A O33A 109.4(4) . .
O32B Cl3B O31B 109(2) . .
O32B Cl3B O33B 111(2) . .
O32B Cl3B O34B 108(2) . .
O33B Cl3B O31B 110(2) . .
O34B Cl3B O31B 106.8(19) . .
O34B Cl3B O33B 112(2) . .
N91 C91 C92 179.1(7) . .
C91 C92 H92A 109.5 . .
C91 C92 H92B 109.5 . .
C91 C92 H92C 109.5 . .
H92A C92 H92B 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
N92 C93 C94 179.3(7) . .
C93 C94 H94A 109.5 . .
C93 C94 H94B 109.5 . .
C93 C94 H94C 109.5 . .
H94A C94 H94B 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
N93 C95 C96 178.5(7) . .
C95 C96 H96A 109.5 . .
C95 C96 H96B 109.5 . .
C95 C96 H96C 109.5 . .
H96A C96 H96B 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 C1 1.946(4) .
Cu1 N11 2.092(4) .
Cu1 N21 1.997(4) .
Cu1 N31 2.055(4) 2_666
Cu1 N41 1.981(4) 2_666
C1 C1 1.159(8) 2_666
C1 N1 1.159(8) 2_666
C11 H11 0.9500 .
C11 C12 1.358(6) .
C11 N12 1.339(6) .
C12 H12 0.9500 .
C12 C13 1.387(6) .
C13 H13 0.9500 .
C13 N11 1.323(5) .
C21 H21 0.9500 .
C21 C22 1.359(7) .
C21 N22 1.341(5) .
C22 H22 0.9500 .
C22 C23 1.390(6) .
C23 H23 0.9500 .
C23 N21 1.329(6) .
C31 H31 0.9500 .
C31 C32 1.371(6) .
C31 N32 1.341(5) .
C32 H32 0.9500 .
C32 C33 1.384(6) .
C33 H33 0.9500 .
C33 N31 1.346(5) .
C41 H41 0.9500 .
C41 C42 1.357(6) .
C41 N42 1.334(5) .
C42 H42 0.9500 .
C42 C43 1.393(6) .
C43 H43 0.9500 .
C43 N41 1.317(5) .
C111 H111 1.0000 .
C111 C112 1.530(6) .
C111 N12 1.450(5) .
C111 N22 1.467(5) .
C112 C113 1.393(6) .
C112 C117 1.379(6) .
C113 H113 0.9500 .
C113 C114 1.381(6) .
C114 H114 0.9500 .
C114 C115 1.374(6) .
C115 H115 0.9500 .
C115 C116 1.395(6) .
C116 C117 1.390(6) .
C116 C118 1.516(6) .
C117 H117 0.9500 .
C118 H118 1.0000 .
C118 N32 1.440(5) .
C118 N42 1.459(5) .
N11 N12 1.361(5) .
N21 N22 1.357(5) .
N31 Cu1 2.055(4) 2_666
N31 N32 1.372(5) .
N41 Cu1 1.981(4) 2_666
N41 N42 1.359(5) .
Cu2 C2 1.926(4) .
Cu2 N51 2.090(4) .
Cu2 N61 1.995(4) .
Cu2 N71 2.056(4) 2_665
Cu2 N81 2.006(4) 2_665
C2 C2 1.161(8) 2_665
C2 N2 1.161(8) 2_665
C51 H51 0.9500 .
C51 C52 1.366(6) .
C51 N52 1.331(6) .
C52 H52 0.9500 .
C52 C53 1.388(7) .
C53 H53 0.9500 .
C53 N51 1.316(5) .
C61 H61 0.9500 .
C61 C62 1.370(7) .
C61 N62 1.359(6) .
C62 H62 0.9500 .
C62 C63 1.374(7) .
C63 H63 0.9500 .
C63 N61 1.359(6) .
C71 H71 0.9500 .
C71 C72 1.366(6) .
C71 N72 1.334(6) .
C72 H72 0.9500 .
C72 C73 1.386(6) .
C73 H73 0.9500 .
C73 N71 1.325(6) .
C81 H81 0.9500 .
C81 C82 1.359(6) .
C81 N82 1.340(5) .
C82 H82 0.9500 .
C82 C83 1.394(6) .
C83 H83 0.9500 .
C83 N81 1.327(6) .
C121 H121 1.0000 .
C121 C122 1.520(6) .
C121 N52 1.451(5) .
C121 N62 1.450(6) .
C122 C123 1.394(6) .
C122 C127 1.380(6) .
C123 H123 0.9500 .
C123 C124 1.368(6) .
C124 H124 0.9500 .
C124 C125 1.381(6) .
C125 H125 0.9500 .
C125 C126 1.390(6) .
C126 C127 1.396(6) .
C126 C128 1.520(6) .
C127 H127 0.9500 .
C128 H128 1.0000 .
C128 N72 1.456(6) .
C128 N82 1.460(5) .
N51 N52 1.359(5) .
N61 N62 1.359(5) .
N71 Cu2 2.056(4) 2_665
N71 N72 1.366(5) .
N81 Cu2 2.006(4) 2_665
N81 N82 1.364(5) .
Cl1 O11 1.436(3) .
Cl1 O12 1.438(3) .
Cl1 O13 1.421(3) .
Cl1 O14 1.421(3) .
Cl2 O21 1.436(4) .
Cl2 O22 1.418(4) .
Cl2 O23 1.431(4) .
Cl2 O24 1.425(4) .
Cl3A O31A 1.418(4) .
Cl3A O32A 1.392(4) .
Cl3A O33A 1.420(4) .
Cl3A O34A 1.414(4) .
Cl3B O31B 1.423(9) .
Cl3B O32B 1.413(9) .
Cl3B O33B 1.418(9) .
Cl3B O34B 1.418(9) .
N91 C91 1.133(6) .
C91 C92 1.455(7) .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
N92 C93 1.135(6) .
C93 C94 1.452(7) .
C94 H94A 0.9800 .
C94 H94B 0.9800 .
C94 H94C 0.9800 .
N93 C95 1.123(7) .
C95 C96 1.447(7) .
C96 H96A 0.9800 .
C96 H96B 0.9800 .
C96 H96C 0.9800 .
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_4
Cu1 Cu1 N11 C13 -146.2(4) 2_666 .
Cu1 Cu1 N11 N12 55.3(3) 2_666 .
Cu1 Cu1 N21 C23 80.5(4) 2_666 .
Cu1 Cu1 N21 N22 -83.9(3) 2_666 .
Cu1 N11 N12 C11 164.4(3) . .
Cu1 N11 N12 C111 -16.4(5) . .
Cu1 N21 N22 C21 167.8(3) . .
Cu1 N21 N22 C111 -7.6(5) . .
Cu1 N31 N32 C31 -173.1(3) 2_666 .
Cu1 N31 N32 C118 6.4(5) 2_666 .
Cu1 N41 N42 C41 -172.8(3) 2_666 .
Cu1 N41 N42 C118 -0.7(5) 2_666 .
C1 Cu1 N11 C13 -145.7(4) . .
C1 Cu1 N11 N12 55.9(4) . .
C1 Cu1 N21 C23 81.1(4) . .
C1 Cu1 N21 N22 -83.3(4) . .
C11 C12 C13 N11 0.2(6) . .
C12 C11 N12 C111 180.0(4) . .
C12 C11 N12 N11 -0.8(5) . .
C12 C13 N11 Cu1 -161.6(3) . .
C12 C13 N11 N12 -0.7(5) . .
C13 N11 N12 C11 0.9(5) . .
C13 N11 N12 C111 -179.8(4) . .
C21 C22 C23 N21 -0.3(6) . .
C22 C21 N22 C111 175.0(4) . .
C22 C21 N22 N21 -0.1(5) . .
C22 C23 N21 Cu1 -166.4(3) . .
C22 C23 N21 N22 0.2(5) . .
C23 N21 N22 C21 -0.1(5) . .
C23 N21 N22 C111 -175.5(4) . .
C31 C32 C33 N31 -1.7(6) . .
C32 C31 N32 C118 179.9(4) . .
C32 C31 N32 N31 -0.6(5) . .
C32 C33 N31 Cu1 172.5(3) . 2_666
C32 C33 N31 N32 1.3(5) . .
C33 N31 N32 C31 -0.4(5) . .
C33 N31 N32 C118 179.1(4) . .
C41 C42 C43 N41 0.0(6) . .
C42 C41 N42 C118 -172.3(4) . .
C42 C41 N42 N41 -1.2(5) . .
C42 C43 N41 Cu1 172.5(3) . 2_666
C42 C43 N41 N42 -0.7(5) . .
C43 N41 N42 C41 1.2(5) . .
C43 N41 N42 C118 173.2(4) . .
C111 C112 C113 C114 -178.9(4) . .
C111 C112 C117 C116 -180.0(4) . .
C112 C111 N12 C11 117.0(5) . .
C112 C111 N12 N11 -62.1(5) . .
C112 C111 N22 C21 -98.8(5) . .
C112 C111 N22 N21 75.9(5) . .
C112 C113 C114 C115 0.3(7) . .
C113 C112 C117 C116 2.5(7) . .
C113 C114 C115 C116 -0.1(7) . .
C114 C115 C116 C117 1.1(7) . .
C114 C115 C116 C118 179.5(4) . .
C115 C116 C117 C112 -2.3(7) . .
C115 C116 C118 N32 15.9(6) . .
C115 C116 C118 N42 140.3(4) . .
C116 C118 N32 C31 -114.7(5) . .
C116 C118 N32 N31 65.9(5) . .
C116 C118 N42 C41 101.6(5) . .
C116 C118 N42 N41 -68.9(5) . .
C117 C112 C113 C114 -1.5(7) . .
C117 C116 C118 N32 -165.7(4) . .
C117 C116 C118 N42 -41.3(6) . .
C118 C116 C117 C112 179.2(4) . .
N11 Cu1 N21 C23 -154.8(4) . .
N11 Cu1 N21 N22 40.8(3) . .
N12 C11 C12 C13 0.4(5) . .
N12 C111 C112 C113 -13.5(6) . .
N12 C111 C112 C117 169.1(4) . .
N12 C111 N22 C21 134.6(4) . .
N12 C111 N22 N21 -50.7(5) . .
N21 Cu1 N11 C13 129.7(4) . .
N21 Cu1 N11 N12 -28.8(3) . .
N22 C21 C22 C23 0.2(6) . .
N22 C111 C112 C113 -137.4(4) . .
N22 C111 C112 C117 45.2(6) . .
N22 C111 N12 C11 -117.5(5) . .
N22 C111 N12 N11 63.4(5) . .
N31 Cu1 N11 C13 35.3(4) 2_666 .
N31 Cu1 N11 N12 -123.2(3) 2_666 .
N31 Cu1 N21 C23 -51.0(4) 2_666 .
N31 Cu1 N21 N22 144.6(3) 2_666 .
N32 C31 C32 C33 1.4(5) . .
N32 C118 N42 C41 -131.8(5) . .
N32 C118 N42 N41 57.7(5) . .
N41 Cu1 N11 C13 -51.8(4) 2_666 .
N41 Cu1 N11 N12 149.7(3) 2_666 .
N42 C41 C42 C43 0.7(6) . .
N42 C118 N32 C31 119.6(5) . .
N42 C118 N32 N31 -59.8(5) . .
Cu2 Cu2 N51 C53 -148.4(4) 2_665 .
Cu2 Cu2 N51 N52 52.9(4) 2_665 .
Cu2 Cu2 N61 C63 87.1(5) 2_665 .
Cu2 Cu2 N61 N62 -90.9(4) 2_665 .
Cu2 N51 N52 C51 163.5(3) . .
Cu2 N51 N52 C121 -12.5(5) . .
Cu2 N61 N62 C61 179.5(3) . .
Cu2 N61 N62 C121 2.1(6) . .
Cu2 N71 N72 C71 -166.2(3) 2_665 .
Cu2 N71 N72 C128 15.2(5) 2_665 .
Cu2 N81 N82 C81 -177.0(3) 2_665 .
Cu2 N81 N82 C128 -0.6(5) 2_665 .
C2 Cu2 N51 C53 -146.9(4) . .
C2 Cu2 N51 N52 54.4(4) . .
C2 Cu2 N61 C63 87.9(5) . .
C2 Cu2 N61 N62 -90.0(4) . .
C51 C52 C53 N51 1.6(6) . .
C52 C51 N52 C121 177.0(4) . .
C52 C51 N52 N51 1.4(6) . .
C52 C53 N51 Cu2 -162.0(4) . .
C52 C53 N51 N52 -0.8(5) . .
C53 N51 N52 C51 -0.4(5) . .
C53 N51 N52 C121 -176.3(4) . .
C61 C62 C63 N61 -2.0(6) . .
C62 C61 N62 C121 174.9(5) . .
C62 C61 N62 N61 -2.3(6) . .
C62 C63 N61 Cu2 -177.6(4) . .
C62 C63 N61 N62 0.6(6) . .
C63 N61 N62 C61 1.1(6) . .
C63 N61 N62 C121 -176.4(4) . .
C71 C72 C73 N71 -0.8(6) . .
C72 C71 N72 C128 177.9(4) . .
C72 C71 N72 N71 -0.6(5) . .
C72 C73 N71 Cu2 164.0(3) . 2_665
C72 C73 N71 N72 0.4(5) . .
C73 N71 N72 C71 0.1(5) . .
C73 N71 N72 C128 -178.5(4) . .
C81 C82 C83 N81 -0.3(6) . .
C82 C81 N82 C128 -175.5(4) . .
C82 C81 N82 N81 0.4(6) . .
C82 C83 N81 Cu2 176.4(3) . 2_665
C82 C83 N81 N82 0.6(5) . .
C83 N81 N82 C81 -0.6(5) . .
C83 N81 N82 C128 175.7(4) . .
C121 C122 C123 C124 -177.6(4) . .
C121 C122 C127 C126 178.4(4) . .
C122 C121 N52 C51 119.8(5) . .
C122 C121 N52 N51 -65.0(5) . .
C122 C121 N62 C61 -106.7(6) . .
C122 C121 N62 N61 70.3(5) . .
C122 C123 C124 C125 -0.2(7) . .
C123 C122 C127 C126 1.0(7) . .
C123 C124 C125 C126 -0.1(7) . .
C124 C125 C126 C127 0.8(7) . .
C124 C125 C126 C128 177.7(4) . .
C125 C126 C127 C122 -1.3(7) . .
C125 C126 C128 N72 21.4(6) . .
C125 C126 C128 N82 144.5(4) . .
C126 C128 N72 C71 -118.6(5) . .
C126 C128 N72 N71 59.8(5) . .
C126 C128 N82 C81 107.1(5) . .
C126 C128 N82 N81 -68.5(5) . .
C127 C122 C123 C124 -0.3(7) . .
C127 C126 C128 N72 -161.8(4) . .
C127 C126 C128 N82 -38.6(6) . .
C128 C126 C127 C122 -178.2(4) . .
N51 Cu2 N61 C63 -147.2(5) . .
N51 Cu2 N61 N62 34.8(4) . .
N52 C51 C52 C53 -1.8(6) . .
N52 C121 C122 C123 -16.2(6) . .
N52 C121 C122 C127 166.5(4) . .
N52 C121 N62 C61 126.5(5) . .
N52 C121 N62 N61 -56.5(6) . .
N61 Cu2 N51 C53 128.9(5) . .
N61 Cu2 N51 N52 -29.8(3) . .
N62 C61 C62 C63 2.6(6) . .
N62 C121 C122 C123 -140.0(4) . .
N62 C121 C122 C127 42.8(6) . .
N62 C121 N52 C51 -114.0(5) . .
N62 C121 N52 N51 61.3(5) . .
N71 Cu2 N51 C53 36.2(5) 2_665 .
N71 Cu2 N51 N52 -122.5(3) 2_665 .
N71 Cu2 N61 C63 -42.2(5) 2_665 .
N71 Cu2 N61 N62 139.9(4) 2_665 .
N72 C71 C72 C73 0.8(5) . .
N72 C128 N82 C81 -127.5(5) . .
N72 C128 N82 N81 56.9(5) . .
N81 Cu2 N51 C53 -52.6(5) 2_665 .
N81 Cu2 N51 N52 148.7(3) 2_665 .
N82 C81 C82 C83 -0.1(6) . .
N82 C128 N72 C71 116.4(5) . .
N82 C128 N72 N71 -65.2(5) . .
