#------------------------------------------------------------------------------
#$Date: 2016-02-16 21:30:59 +0100 (mar 16 de feb de 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/72/4337256.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_4337256
loop_
_publ_author_name
'Reger, Daniel L.'
'Pascui, Andrea E.'
'Foley, Elizabeth A.'
'Smith, Mark D.'
'Jezierska, Julia'
'Ozarowski, Andrew'
_publ_section_title
;
 Dinuclear Metallacycles with Single M-O(H)-M Bridges [M = Fe(II), Co(II),
 Ni(II), Cu(II)]: Effects of Large Bridging Angles on Structure and
 Antiferromagnetic Superexchange Interactions.
;
_journal_issue                   4
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1975
_journal_page_last               1988
_journal_paper_doi               10.1021/ic4017905
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C40 H37 Cu2 N16 O, 1.5(C2 H3 N), 3(Cl O4)'
_chemical_formula_sum            'C43 H41.5 Cl3 Cu2 N17.5 O13'
_chemical_formula_weight         1244.87
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 101.6480(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6154(4)
_cell_length_b                   42.3862(16)
_cell_length_c                   11.5326(4)
_cell_measurement_reflns_used    5848
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      22.334
_cell_measurement_theta_min      2.182
_cell_volume                     5082.2(3)
_computing_cell_refinement       'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_data_collection       'SMART Version 5.625 (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus Version 6.45 (Bruker, 2001)'
_computing_molecular_graphics    various
_computing_publication_material  'SHELXTL Version 6.14 (Bruker, 2000)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.1067
_diffrn_reflns_av_sigmaI/netI    0.0949
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       50
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            64683
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    1.077
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.627
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2540
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.947
_refine_diff_density_min         -0.602
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.894
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     725
_refine_ls_number_reflns         9165
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.898
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0387P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.1031
_reflns_number_gt                5729
_reflns_number_total             9165
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic4017905_si_001.cif
_cod_data_source_block           ef2297am
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'C43 H41.50 Cl3 Cu2 N17.50 O13'
_cod_database_code               4337256
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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 0.39758(5) 0.530948(12) 0.42183(4) 0.02729(15) Uani 1 1 d . . .
O1 O 0.5261(5) 0.49723(12) 0.4554(4) 0.0238(13) Uani 0.50 1 d P . .
H1A H 0.5141 0.4852 0.3964 0.036 Uiso 0.50 1 d PR . .
C11 C 0.2039(4) 0.54267(11) 0.0659(4) 0.0342(11) Uani 1 1 d . . .
H11 H 0.1411 0.5357 0.0002 0.041 Uiso 1 1 calc R . .
C12 C 0.2610(4) 0.57140(11) 0.0788(4) 0.0409(12) Uani 1 1 d . . .
H12 H 0.2468 0.5886 0.0247 0.049 Uiso 1 1 calc R . .
C13 C 0.3436(5) 0.57039(12) 0.1863(5) 0.0499(14) Uani 1 1 d . . .
H13 H 0.3969 0.5875 0.2189 0.060 Uiso 1 1 calc R . .
C21 C 0.0742(4) 0.47434(10) 0.3134(5) 0.0447(13) Uani 1 1 d . . .
H21 H 0.0124 0.4644 0.2535 0.054 Uiso 1 1 calc R . .
C22 C 0.0758(5) 0.47339(12) 0.4300(5) 0.0522(15) Uani 1 1 d . . .
H22 H 0.0171 0.4627 0.4685 0.063 Uiso 1 1 calc R . .
C23 C 0.1818(4) 0.49142(10) 0.4825(4) 0.0386(12) Uani 1 1 d . . .
H23 H 0.2066 0.4954 0.5650 0.046 Uiso 1 1 calc R . .
C31 C 0.7352(5) 0.38258(11) 0.4574(4) 0.0386(12) Uani 1 1 d . . .
H31 H 0.7175 0.3627 0.4195 0.046 Uiso 1 1 calc R . .
C32 C 0.8505(5) 0.39251(12) 0.5215(4) 0.0441(13) Uani 1 1 d . . .
H32 H 0.9292 0.3811 0.5377 0.053 Uiso 1 1 calc R . .
C33 C 0.8283(4) 0.42275(12) 0.5578(4) 0.0425(13) Uani 1 1 d . . .
H33 H 0.8921 0.4356 0.6049 0.051 Uiso 1 1 calc R . .
C41 C 0.3431(4) 0.39402(11) 0.5155(4) 0.0351(12) Uani 1 1 d . . .
H41 H 0.3148 0.3746 0.4781 0.042 Uiso 1 1 calc R . .
C42 C 0.2929(4) 0.40884(11) 0.6009(4) 0.0368(12) Uani 1 1 d . . .
H42 H 0.2226 0.4020 0.6342 0.044 Uiso 1 1 calc R . .
C43 C 0.3659(4) 0.43589(11) 0.6289(4) 0.0345(11) Uani 1 1 d . . .
H43 H 0.3540 0.4507 0.6875 0.041 Uiso 1 1 calc R . .
C111 C 0.2286(4) 0.49333(10) 0.1904(4) 0.0296(11) Uani 1 1 d . . .
H111 H 0.1636 0.4847 0.1228 0.036 Uiso 1 1 calc R . .
C112 C 0.3496(4) 0.47320(10) 0.2040(4) 0.0322(11) Uani 1 1 d . . .
C113 C 0.4361(5) 0.47788(13) 0.1314(4) 0.0627(17) Uani 1 1 d . . .
H113 H 0.4190 0.4933 0.0705 0.075 Uiso 1 1 calc R . .
C114 C 0.5470(6) 0.46028(14) 0.1467(5) 0.078(2) Uani 1 1 d . . .
H114 H 0.6061 0.4638 0.0961 0.093 Uiso 1 1 calc R . .
C115 C 0.5741(5) 0.43760(12) 0.2342(4) 0.0559(15) Uani 1 1 d . . .
H115 H 0.6511 0.4256 0.2443 0.067 Uiso 1 1 calc R . .
C116 C 0.4872(4) 0.43271(10) 0.3067(4) 0.0308(11) Uani 1 1 d . . .
C117 C 0.3745(4) 0.45014(9) 0.2901(4) 0.0274(10) Uani 1 1 d . . .
H117 H 0.3136 0.4462 0.3385 0.033 Uiso 1 1 calc R . .
C118 C 0.5155(4) 0.40775(10) 0.4031(4) 0.0280(10) Uani 1 1 d . . .
H118 H 0.4912 0.3868 0.3650 0.034 Uiso 1 1 calc R . .
N11 N 0.3410(3) 0.54275(9) 0.2402(3) 0.0361(10) Uani 1 1 d . . .
N12 N 0.2531(3) 0.52592(8) 0.1638(3) 0.0282(9) Uani 1 1 d . . .
N21 N 0.2432(3) 0.50215(8) 0.4016(3) 0.0279(8) Uani 1 1 d . . .
N22 N 0.1745(3) 0.49166(8) 0.2958(3) 0.0297(9) Uani 1 1 d . . .
N31 N 0.7075(3) 0.43166(8) 0.5190(3) 0.0326(9) Uani 1 1 d . . .
N32 N 0.6512(3) 0.40635(8) 0.4581(3) 0.0312(9) Uani 1 1 d . . .
N41 N 0.4554(3) 0.43840(8) 0.5629(3) 0.0262(8) Uani 1 1 d . . .
N42 N 0.4406(3) 0.41211(8) 0.4940(3) 0.0274(8) Uani 1 1 d . . .
Cu2 Cu 0.76371(5) 0.205112(13) 0.90577(4) 0.03044(15) Uani 1 1 d . . .
O2 O 0.7223(3) 0.2500 0.9188(3) 0.0300(10) Uani 1 2 d S . .
H2A H 0.6424 0.2500 0.9149 0.045 Uiso 1 2 d SR . .
C51 C 1.0592(4) 0.13845(11) 0.9287(4) 0.0375(12) Uani 1 1 d . . .
H51 H 1.1419 0.1312 0.9667 0.045 Uiso 1 1 calc R . .
C52 C 0.9750(5) 0.12324(11) 0.8412(4) 0.0424(13) Uani 1 1 d . . .
H52 H 0.9862 0.1033 0.8068 0.051 Uiso 1 1 calc R . .
C53 C 0.8699(4) 0.14308(11) 0.8137(4) 0.0371(12) Uani 1 1 d . . .
H53 H 0.7955 0.1387 0.7550 0.045 Uiso 1 1 calc R . .
C61 C 1.0000(4) 0.19477(10) 1.2351(4) 0.0343(11) Uani 1 1 d . . .
H61 H 1.0817 0.1900 1.2825 0.041 Uiso 1 1 calc R . .
C62 C 0.8924(4) 0.20295(11) 1.2749(4) 0.0413(13) Uani 1 1 d . . .
H62 H 0.8827 0.2046 1.3548 0.050 Uiso 1 1 calc R . .
C63 C 0.7989(4) 0.20840(11) 1.1727(4) 0.0403(12) Uani 1 1 d . . .
H63 H 0.7131 0.2148 1.1727 0.048 Uiso 1 1 calc R . .
C71 C 0.4336(4) 0.14071(10) 0.8630(4) 0.0316(11) Uani 1 1 d . . .
H71 H 0.3553 0.1335 0.8153 0.038 Uiso 1 1 calc R . .
C72 C 0.4977(4) 0.12717(10) 0.9648(4) 0.0354(12) Uani 1 1 d . . .
H72 H 0.4746 0.1087 1.0025 0.042 Uiso 1 1 calc R . .
C73 C 0.6049(4) 0.14645(11) 1.0015(4) 0.0364(12) Uani 1 1 d . . .
H73 H 0.6685 0.1429 1.0710 0.044 Uiso 1 1 calc R . .
C81 C 0.5458(4) 0.19289(10) 0.5652(4) 0.0310(11) Uani 1 1 d . . .
H81 H 0.4687 0.1872 0.5119 0.037 Uiso 1 1 calc R . .
C82 C 0.6583(4) 0.20106(10) 0.5346(4) 0.0340(11) Uani 1 1 d . . .
H82 H 0.6764 0.2021 0.4573 0.041 Uiso 1 1 calc R . .
C83 C 0.7407(4) 0.20752(10) 0.6410(4) 0.0323(11) Uani 1 1 d . . .
H83 H 0.8277 0.2139 0.6478 0.039 Uiso 1 1 calc R . .
C121 C 1.0518(4) 0.19085(10) 1.0302(4) 0.0285(11) Uani 1 1 d . . .
H121 H 1.1397 0.1848 1.0741 0.034 Uiso 1 1 calc R . .
C122 C 1.0632(4) 0.22158(10) 0.9644(4) 0.0272(10) Uani 1 1 d . . .
C123 C 1.0809(4) 0.22180(11) 0.8494(4) 0.0304(11) Uani 1 1 d . . .
H123 H 1.0878 0.2024 0.8097 0.037 Uiso 1 1 calc R . .
C124 C 1.0888(5) 0.2500 0.7913(5) 0.0340(16) Uani 1 2 d S . .
H124 H 1.0995 0.2500 0.7116 0.041 Uiso 1 2 calc SR . .
C125 C 1.0558(5) 0.2500 1.0227(5) 0.0275(15) Uani 1 2 d S . .
H125 H 1.0456 0.2500 1.1026 0.033 Uiso 1 2 calc SR . .
C126 C 0.4641(4) 0.19065(10) 0.7548(3) 0.0255(10) Uani 1 1 d . . .
H126 H 0.3824 0.1839 0.7011 0.031 Uiso 1 1 calc R . .
C127 C 0.4379(3) 0.22168(10) 0.8126(3) 0.0224(10) Uani 1 1 d . . .
C128 C 0.4062(3) 0.22170(10) 0.9231(4) 0.0259(10) Uani 1 1 d . . .
H128 H 0.3959 0.2023 0.9615 0.031 Uiso 1 1 calc R . .
C129 C 0.3895(5) 0.2500 0.9773(5) 0.0317(16) Uani 1 2 d S . .
H129 H 0.3663 0.2500 1.0527 0.038 Uiso 1 2 calc SR . .
C130 C 0.4495(5) 0.2500 0.7554(5) 0.0235(14) Uani 1 2 d S . .
H130 H 0.4654 0.2500 0.6772 0.028 Uiso 1 2 calc SR . .
N51 N 0.8859(3) 0.16906(9) 0.8796(3) 0.0319(9) Uani 1 1 d . . .
N52 N 1.0034(3) 0.16558(8) 0.9508(3) 0.0281(9) Uani 1 1 d . . .
N61 N 0.8451(3) 0.20355(8) 1.0762(3) 0.0301(9) Uani 1 1 d . . .
N62 N 0.9694(3) 0.19474(8) 1.1162(3) 0.0268(8) Uani 1 1 d . . .
N71 N 0.6076(3) 0.17023(8) 0.9285(3) 0.0296(9) Uani 1 1 d . . .
N72 N 0.5010(3) 0.16618(8) 0.8422(3) 0.0268(8) Uani 1 1 d . . .
N81 N 0.6838(3) 0.20379(8) 0.7324(3) 0.0290(9) Uani 1 1 d . . .
N82 N 0.5616(3) 0.19426(8) 0.6833(3) 0.0251(8) Uani 1 1 d . . .
Cl1 Cl 0.38428(10) 0.16348(3) 0.22921(9) 0.0309(3) Uani 1 1 d D . .
O11 O 0.5209(3) 0.16174(8) 0.2644(3) 0.0538(10) Uani 1 1 d D . .
O12 O 0.3288(3) 0.16757(7) 0.3316(2) 0.0471(9) Uani 1 1 d D . .
O13 O 0.3494(3) 0.18910(8) 0.1512(3) 0.0615(11) Uani 1 1 d D . .
O14 O 0.3349(3) 0.13471(8) 0.1727(3) 0.0689(11) Uani 1 1 d D . .
Cl2 Cl 0.12208(10) 0.17669(3) 0.56395(9) 0.0302(3) Uani 1 1 d . . .
O21 O 0.0061(3) 0.19277(8) 0.5687(3) 0.0553(10) Uani 1 1 d . . .
O22 O 0.1730(3) 0.16238(7) 0.6771(2) 0.0424(8) Uani 1 1 d . . .
O23 O 0.2155(3) 0.19824(8) 0.5374(3) 0.0535(9) Uani 1 1 d . . .
O24 O 0.0976(3) 0.15297(7) 0.4740(3) 0.0460(9) Uani 1 1 d . . .
Cl3A Cl 0.1496(6) 0.46345(15) 0.8437(5) 0.0500(9) Uani 0.649(9) 1 d PD A 1
O31A O 0.0727(7) 0.45356(18) 0.7355(6) 0.0611(15) Uiso 0.649(9) 1 d PD A 1
O32A O 0.0740(6) 0.47786(17) 0.9198(5) 0.058(2) Uiso 0.649(9) 1 d PD A 1
O33A O 0.2384(6) 0.48586(15) 0.8140(5) 0.068(2) Uiso 0.649(9) 1 d PD A 1
O34A O 0.2151(6) 0.43654(14) 0.8992(6) 0.080(3) Uiso 0.649(9) 1 d PD A 1
Cl3B Cl 0.1449(11) 0.4608(3) 0.8658(11) 0.0500(9) Uani 0.351(9) 1 d PD A 2
O31B O 0.0612(13) 0.4488(3) 0.7624(11) 0.0611(15) Uiso 0.351(9) 1 d PD A 2
O32B O 0.0864(10) 0.4901(3) 0.8929(10) 0.059(4) Uiso 0.351(9) 1 d PD A 2
O33B O 0.2763(11) 0.4681(3) 0.8630(12) 0.090(5) Uiso 0.351(9) 1 d PD A 2
O34B O 0.1458(11) 0.4399(2) 0.9623(10) 0.076(5) Uiso 0.351(9) 1 d PD A 2
N91 N 0.8464(5) 0.10410(15) 0.1934(4) 0.0938(19) Uani 1 1 d . . .
C91 C 0.9524(5) 0.10571(13) 0.2178(4) 0.0513(14) Uani 1 1 d . . .
C92 C 1.0892(5) 0.10805(13) 0.2506(5) 0.0664(17) Uani 1 1 d . . .
H92A H 1.1144 0.1303 0.2564 0.100 Uiso 1 1 calc R . .
H92B H 1.1282 0.0976 0.1907 0.100 Uiso 1 1 calc R . .
H92C H 1.1189 0.0978 0.3275 0.100 Uiso 1 1 calc R . .
N92 N 0.5638(6) 0.2500 0.2919(5) 0.0575(18) Uani 1 2 d S . .
C93 C 0.4651(7) 0.2500 0.3138(6) 0.0401(18) Uani 1 2 d S . .
C94 C 0.3372(7) 0.2500 0.3438(6) 0.054(2) Uani 1 2 d S . .
H94A H 0.3107 0.2282 0.3545 0.081 Uiso 0.50 1 calc PR . .
H94B H 0.2753 0.2599 0.2796 0.081 Uiso 0.50 1 calc PR . .
H94C H 0.3403 0.2618 0.4173 0.081 Uiso 0.50 1 calc PR . .
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'
O O 0.0106 0.0060 '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_1
_geom_angle_site_symmetry_3
O1 Cu1 O1 38.8(3) 3_666 .
O1 Cu1 N41 97.70(18) 3_666 3_666
O1 Cu1 N41 87.53(17) . 3_666
O1 Cu1 N21 85.42(18) 3_666 .
O1 Cu1 N21 95.65(17) . .
N41 Cu1 N21 176.67(13) 3_666 .
O1 Cu1 N11 151.23(18) 3_666 .
O1 Cu1 N11 114.48(17) . .
N41 Cu1 N11 89.66(13) 3_666 .
N21 Cu1 N11 88.13(14) . .
O1 Cu1 N31 113.61(17) 3_666 3_666
O1 Cu1 N31 150.34(17) . 3_666
N41 Cu1 N31 86.47(13) 3_666 3_666
N21 Cu1 N31 91.22(13) . 3_666
N11 Cu1 N31 94.51(14) . 3_666
O1 O1 Cu1 72.9(4) 3_666 3_666
O1 O1 Cu1 68.2(4) 3_666 .
Cu1 O1 Cu1 141.2(3) 3_666 .
O1 O1 H1A 137.8 3_666 .
Cu1 O1 H1A 101.3 3_666 .
Cu1 O1 H1A 107.3 . .
N12 C11 C12 107.0(4) . .
N12 C11 H11 126.5 . .
C12 C11 H11 126.5 . .
C11 C12 C13 105.2(4) . .
C11 C12 H12 127.4 . .
C13 C12 H12 127.4 . .
N11 C13 C12 112.5(4) . .
N11 C13 H13 123.8 . .
C12 C13 H13 123.8 . .
C22 C21 N22 108.5(5) . .
C22 C21 H21 125.7 . .
N22 C21 H21 125.7 . .
C21 C22 C23 105.4(4) . .
C21 C22 H22 127.3 . .
C23 C22 H22 127.3 . .
N21 C23 C22 110.6(4) . .
N21 C23 H23 124.7 . .
C22 C23 H23 124.7 . .
N32 C31 C32 106.8(4) . .
N32 C31 H31 126.6 . .
C32 C31 H31 126.6 . .
C31 C32 C33 105.2(4) . .
C31 C32 H32 127.4 . .
C33 C32 H32 127.4 . .
N31 C33 C32 112.0(4) . .
N31 C33 H33 124.0 . .
C32 C33 H33 124.0 . .
N42 C41 C42 107.3(4) . .
N42 C41 H41 126.4 . .
C42 C41 H41 126.4 . .
C41 C42 C43 105.5(4) . .
C41 C42 H42 127.3 . .
C43 C42 H42 127.3 . .
N41 C43 C42 111.2(4) . .
N41 C43 H43 124.4 . .
C42 C43 H43 124.4 . .
N22 C111 N12 110.1(3) . .
N22 C111 C112 110.8(3) . .
N12 C111 C112 111.8(4) . .
N22 C111 H111 108.0 . .
N12 C111 H111 108.0 . .
C112 C111 H111 108.0 . .
C113 C112 C117 119.0(4) . .
C113 C112 C111 120.6(4) . .
C117 C112 C111 120.4(4) . .
C114 C113 C112 120.2(5) . .
C114 C113 H113 119.9 . .
C112 C113 H113 119.9 . .
C113 C114 C115 121.1(5) . .
C113 C114 H114 119.4 . .
C115 C114 H114 119.4 . .
C116 C115 C114 118.8(5) . .
C116 C115 H115 120.6 . .
C114 C115 H115 120.6 . .
C115 C116 C117 120.0(4) . .
C115 C116 C118 119.4(4) . .
C117 C116 C118 120.6(4) . .
C112 C117 C116 120.8(4) . .
C112 C117 H117 119.6 . .
C116 C117 H117 119.6 . .
N42 C118 N32 109.2(3) . .
N42 C118 C116 112.6(3) . .
N32 C118 C116 112.3(3) . .
N42 C118 H118 107.5 . .
N32 C118 H118 107.5 . .
C116 C118 H118 107.5 . .
C13 N11 N12 103.7(4) . .
C13 N11 Cu1 129.9(3) . .
N12 N11 Cu1 122.8(3) . .
C11 N12 N11 111.6(4) . .
C11 N12 C111 128.6(4) . .
N11 N12 C111 119.6(3) . .
C23 N21 N22 105.6(4) . .
C23 N21 Cu1 129.1(3) . .
N22 N21 Cu1 125.1(3) . .
C21 N22 N21 109.8(4) . .
C21 N22 C111 128.0(4) . .
N21 N22 C111 120.4(3) . .
C33 N31 N32 104.2(4) . .
C33 N31 Cu1 129.7(3) . 3_666
N32 N31 Cu1 123.5(3) . 3_666
C31 N32 N31 111.9(4) . .
C31 N32 C118 128.8(4) . .
N31 N32 C118 119.3(3) . .
C43 N41 N42 104.8(3) . .
C43 N41 Cu1 129.0(3) . 3_666
N42 N41 Cu1 125.3(3) . 3_666
C41 N42 N41 111.2(3) . .
C41 N42 C118 127.8(4) . .
N41 N42 C118 120.7(3) . .
O2 Cu2 N61 90.92(15) . .
O2 Cu2 N81 92.70(15) . .
N61 Cu2 N81 176.38(14) . .
O2 Cu2 N51 152.15(15) . .
N61 Cu2 N51 87.68(14) . .
N81 Cu2 N51 89.14(13) . .
O2 Cu2 N71 116.17(14) . .
N61 Cu2 N71 92.63(13) . .
N81 Cu2 N71 85.73(13) . .
N51 Cu2 N71 91.69(13) . .
Cu2 O2 Cu2 151.0(2) . 4_565
Cu2 O2 H2A 103.6 . .
Cu2 O2 H2A 103.6 4_565 .
N52 C51 C52 107.2(4) . .
N52 C51 H51 126.4 . .
C52 C51 H51 126.4 . .
C51 C52 C53 105.1(4) . .
C51 C52 H52 127.5 . .
C53 C52 H52 127.5 . .
N51 C53 C52 111.7(4) . .
N51 C53 H53 124.2 . .
C52 C53 H53 124.2 . .
N62 C61 C62 107.4(4) . .
N62 C61 H61 126.3 . .
C62 C61 H61 126.3 . .
C61 C62 C63 105.0(4) . .
C61 C62 H62 127.5 . .
C63 C62 H62 127.5 . .
N61 C63 C62 111.3(4) . .
N61 C63 H63 124.3 . .
C62 C63 H63 124.3 . .
N72 C71 C72 107.6(4) . .
N72 C71 H71 126.2 . .
C72 C71 H71 126.2 . .
C71 C72 C73 104.4(4) . .
C71 C72 H72 127.8 . .
C73 C72 H72 127.8 . .
N71 C73 C72 112.1(4) . .
N71 C73 H73 124.0 . .
C72 C73 H73 124.0 . .
N82 C81 C82 108.5(4) . .
N82 C81 H81 125.8 . .
C82 C81 H81 125.8 . .
C81 C82 C83 104.6(4) . .
C81 C82 H82 127.7 . .
C83 C82 H82 127.7 . .
N81 C83 C82 112.0(4) . .
N81 C83 H83 124.0 . .
C82 C83 H83 124.0 . .
N52 C121 N62 109.4(3) . .
N52 C121 C122 112.0(3) . .
N62 C121 C122 111.1(3) . .
N52 C121 H121 108.1 . .
N62 C121 H121 108.1 . .
C122 C121 H121 108.1 . .
C123 C122 C125 119.5(4) . .
C123 C122 C121 121.7(4) . .
C125 C122 C121 118.8(4) . .
C122 C123 C124 120.4(5) . .
C122 C123 H123 119.8 . .
C124 C123 H123 119.8 . .
C123 C124 C123 120.0(6) . 4_565
C123 C124 H124 120.0 . .
C123 C124 H124 120.0 4_565 .
C122 C125 C122 120.3(6) . 4_565
C122 C125 H125 119.9 . .
C122 C125 H125 119.9 4_565 .
N72 C126 N82 110.3(3) . .
N72 C126 C127 111.2(3) . .
N82 C126 C127 111.7(3) . .
N72 C126 H126 107.8 . .
N82 C126 H126 107.8 . .
C127 C126 H126 107.8 . .
C128 C127 C130 119.9(4) . .
C128 C127 C126 120.2(4) . .
C130 C127 C126 119.8(4) . .
C129 C128 C127 119.7(4) . .
C129 C128 H128 120.1 . .
C127 C128 H128 120.1 . .
C128 C129 C128 120.6(6) . 4_565
C128 C129 H129 119.7 . .
C128 C129 H129 119.7 4_565 .
C127 C130 C127 119.9(5) . 4_565
C127 C130 H130 120.1 . .
C127 C130 H130 120.1 4_565 .
C53 N51 N52 104.6(3) . .
C53 N51 Cu2 133.3(3) . .
N52 N51 Cu2 121.3(3) . .
C51 N52 N51 111.4(4) . .
C51 N52 C121 130.3(4) . .
N51 N52 C121 118.2(3) . .
C63 N61 N62 104.9(3) . .
C63 N61 Cu2 132.0(3) . .
N62 N61 Cu2 123.0(3) . .
C61 N62 N61 111.3(3) . .
C61 N62 C121 129.8(4) . .
N61 N62 C121 118.4(3) . .
C73 N71 N72 104.5(4) . .
C73 N71 Cu2 132.9(3) . .
N72 N71 Cu2 121.1(3) . .
C71 N72 N71 111.4(3) . .
C71 N72 C126 128.5(4) . .
N71 N72 C126 119.3(3) . .
C83 N81 N82 104.6(3) . .
C83 N81 Cu2 128.3(3) . .
N82 N81 Cu2 126.5(3) . .
C81 N82 N81 110.4(3) . .
C81 N82 C126 127.9(4) . .
N81 N82 C126 121.3(3) . .
O13 Cl1 O11 109.98(19) . .
O13 Cl1 O14 109.9(2) . .
O11 Cl1 O14 110.1(2) . .
O13 Cl1 O12 109.5(2) . .
O11 Cl1 O12 109.6(2) . .
O14 Cl1 O12 107.77(19) . .
O21 Cl2 O23 110.3(2) . .
O21 Cl2 O24 109.5(2) . .
O23 Cl2 O24 109.1(2) . .
O21 Cl2 O22 109.69(18) . .
O23 Cl2 O22 108.28(19) . .
O24 Cl2 O22 109.91(19) . .
O31A Cl3A O34A 107.7(5) . .
O31A Cl3A O33A 106.1(5) . .
O34A Cl3A O33A 110.8(5) . .
O31A Cl3A O32A 111.9(5) . .
O34A Cl3A O32A 110.4(5) . .
O33A Cl3A O32A 109.9(5) . .
O34B Cl3B O31B 109.7(10) . .
O34B Cl3B O33B 107.4(10) . .
O31B Cl3B O33B 120.1(11) . .
O34B Cl3B O32B 107.5(10) . .
O31B Cl3B O32B 105.3(10) . .
O33B Cl3B O32B 106.3(10) . .
N91 C91 C92 179.2(8) . .
C91 C92 H92A 109.5 . .
C91 C92 H92B 109.5 . .
H92A C92 H92B 109.5 . .
C91 C92 H92C 109.5 . .
H92A C92 H92C 109.5 . .
H92B C92 H92C 109.5 . .
N92 C93 C94 179.3(8) . .
C93 C94 H94A 109.5 . .
C93 C94 H94B 109.5 . .
H94A C94 H94B 109.5 . .
C93 C94 H94C 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.904(5) 3_666
Cu1 O1 1.960(5) .
Cu1 N41 2.011(3) 3_666
Cu1 N21 2.019(3) .
Cu1 N11 2.119(4) .
Cu1 N31 2.128(4) 3_666
O1 O1 1.286(9) 3_666
O1 Cu1 1.904(5) 3_666
O1 H1A 0.8384 .
C11 N12 1.346(5) .
C11 C12 1.355(6) .
C11 H11 0.9500 .
C12 C13 1.367(6) .
C12 H12 0.9500 .
C13 N11 1.329(5) .
C13 H13 0.9500 .
C21 C22 1.341(6) .
C21 N22 1.343(5) .
C21 H21 0.9500 .
C22 C23 1.394(6) .
C22 H22 0.9500 .
C23 N21 1.321(5) .
C23 H23 0.9500 .
C31 N32 1.347(5) .
C31 C32 1.362(6) .
C31 H31 0.9500 .
C32 C33 1.383(6) .
C32 H32 0.9500 .
C33 N31 1.325(5) .
C33 H33 0.9500 .
C41 N42 1.350(5) .
C41 C42 1.365(6) .
C41 H41 0.9500 .
C42 C43 1.385(6) .
C42 H42 0.9500 .
C43 N41 1.336(5) .
C43 H43 0.9500 .
C111 N22 1.447(5) .
C111 N12 1.450(5) .
C111 C112 1.524(6) .
C111 H111 1.0000 .
C112 C113 1.376(6) .
C112 C117 1.380(6) .
C113 C114 1.375(6) .
C113 H113 0.9500 .
C114 C115 1.382(6) .
C114 H114 0.9500 .
C115 C116 1.379(6) .
C115 H115 0.9500 .
C116 C117 1.387(5) .
C116 C118 1.520(6) .
C117 H117 0.9500 .
C118 N42 1.450(5) .
C118 N32 1.453(5) .
C118 H118 1.0000 .
N11 N12 1.351(4) .
N21 N22 1.364(4) .
N31 N32 1.354(4) .
N31 Cu1 2.128(4) 3_666
N41 N42 1.359(4) .
N41 Cu1 2.011(3) 3_666
Cu2 O2 1.9653(11) .
Cu2 N61 1.982(3) .
Cu2 N81 2.009(3) .
Cu2 N51 2.066(4) .
Cu2 N71 2.275(4) .
O2 Cu2 1.9656(11) 4_565
O2 H2A 0.8399 .
C51 N52 1.341(5) .
C51 C52 1.367(6) .
C51 H51 0.9500 .
C52 C53 1.381(6) .
C52 H52 0.9500 .
C53 N51 1.329(5) .
C53 H53 0.9500 .
C61 N62 1.343(5) .
C61 C62 1.359(6) .
C61 H61 0.9500 .
C62 C63 1.398(6) .
C62 H62 0.9500 .
C63 N61 1.320(5) .
C63 H63 0.9500 .
C71 N72 1.343(5) .
C71 C72 1.359(6) .
C71 H71 0.9500 .
C72 C73 1.396(6) .
C72 H72 0.9500 .
C73 N71 1.317(5) .
C73 H73 0.9500 .
C81 N82 1.339(5) .
C81 C82 1.357(6) .
C81 H81 0.9500 .
C82 C83 1.383(6) .
C82 H82 0.9500 .
C83 N81 1.326(5) .
C83 H83 0.9500 .
C121 N52 1.436(5) .
C121 N62 1.458(5) .
C121 C122 1.524(6) .
C121 H121 1.0000 .
C122 C123 1.377(5) .
C122 C125 1.389(5) .
C123 C124 1.380(5) .
C123 H123 0.9500 .
C124 C123 1.381(5) 4_565
C124 H124 0.9500 .
C125 C122 1.389(5) 4_565
C125 H125 0.9500 .
C126 N72 1.444(5) .
C126 N82 1.456(5) .
C126 C127 1.525(5) .
C126 H126 1.0000 .
C127 C128 1.382(5) .
C127 C130 1.387(5) .
C128 C129 1.381(5) .
C128 H128 0.9500 .
C129 C128 1.381(5) 4_565
C129 H129 0.9500 .
C130 C127 1.388(5) 4_565
C130 H130 0.9500 .
N51 N52 1.356(4) .
N61 N62 1.359(4) .
N71 N72 1.358(4) .
N81 N82 1.368(4) .
Cl1 O13 1.411(3) .
Cl1 O11 1.427(3) .
Cl1 O14 1.432(3) .
Cl1 O12 1.433(3) .
Cl2 O21 1.418(3) .
Cl2 O23 1.427(3) .
Cl2 O24 1.430(3) .
Cl2 O22 1.442(3) .
Cl3A O31A 1.410(6) .
Cl3A O34A 1.420(7) .
Cl3A O33A 1.428(7) .
Cl3A O32A 1.439(6) .
Cl3B O34B 1.420(10) .
Cl3B O31B 1.429(10) .
Cl3B O33B 1.435(10) .
Cl3B O32B 1.452(10) .
N91 C91 1.105(6) .
C91 C92 1.429(7) .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
N92 C93 1.126(8) .
C93 C94 1.467(9) .
C94 H94A 0.9800 .
C94 H94B 0.9800 .
C94 H94C 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
N41 Cu1 O1 O1 105.5(4) 3_666 3_666
N21 Cu1 O1 O1 -75.5(4) . 3_666
N11 Cu1 O1 O1 -166.0(4) . 3_666
N31 Cu1 O1 O1 27.1(7) 3_666 3_666
O1 Cu1 O1 Cu1 -0.007(1) 3_666 3_666
N41 Cu1 O1 Cu1 105.5(4) 3_666 3_666
N21 Cu1 O1 Cu1 -75.5(4) . 3_666
N11 Cu1 O1 Cu1 -166.0(4) . 3_666
N31 Cu1 O1 Cu1 27.1(7) 3_666 3_666
N12 C11 C12 C13 0.0(5) . .
C11 C12 C13 N11 0.2(6) . .
N22 C21 C22 C23 0.7(5) . .
C21 C22 C23 N21 -1.4(5) . .
N32 C31 C32 C33 -0.2(5) . .
C31 C32 C33 N31 -0.4(5) . .
N42 C41 C42 C43 -0.7(5) . .
C41 C42 C43 N41 1.4(5) . .
N22 C111 C112 C113 -161.7(4) . .
N12 C111 C112 C113 -38.5(6) . .
N22 C111 C112 C117 17.9(5) . .
N12 C111 C112 C117 141.0(4) . .
C117 C112 C113 C114 -1.6(8) . .
C111 C112 C113 C114 178.0(5) . .
C112 C113 C114 C115 0.2(10) . .
C113 C114 C115 C116 0.2(9) . .
C114 C115 C116 C117 0.8(8) . .
C114 C115 C116 C118 179.8(5) . .
C113 C112 C117 C116 2.6(7) . .
C111 C112 C117 C116 -177.0(4) . .
C115 C116 C117 C112 -2.2(6) . .
C118 C116 C117 C112 178.9(4) . .
C115 C116 C118 N42 161.3(4) . .
C117 C116 C118 N42 -19.8(5) . .
C115 C116 C118 N32 37.5(6) . .
C117 C116 C118 N32 -143.6(4) . .
C12 C13 N11 N12 -0.3(5) . .
C12 C13 N11 Cu1 -158.8(3) . .
O1 Cu1 N11 C13 -142.3(5) 3_666 .
O1 Cu1 N11 C13 -123.9(4) . .
N41 Cu1 N11 C13 -36.8(4) 3_666 .
N21 Cu1 N11 C13 140.7(4) . .
N31 Cu1 N11 C13 49.6(4) 3_666 .
O1 Cu1 N11 N12 62.7(5) 3_666 .
O1 Cu1 N11 N12 81.1(4) . .
N41 Cu1 N11 N12 168.2(3) 3_666 .
N21 Cu1 N11 N12 -14.3(3) . .
N31 Cu1 N11 N12 -105.4(3) 3_666 .
C12 C11 N12 N11 -0.2(5) . .
C12 C11 N12 C111 -176.4(4) . .
C13 N11 N12 C11 0.3(5) . .
Cu1 N11 N12 C11 160.8(3) . .
C13 N11 N12 C111 176.9(4) . .
Cu1 N11 N12 C111 -22.6(5) . .
N22 C111 N12 C11 -119.7(4) . .
C112 C111 N12 C11 116.7(4) . .
N22 C111 N12 N11 64.3(5) . .
C112 C111 N12 N11 -59.2(5) . .
C22 C23 N21 N22 1.5(5) . .
C22 C23 N21 Cu1 177.0(3) . .
O1 Cu1 N21 C23 50.3(4) 3_666 .
O1 Cu1 N21 C23 87.8(4) . .
N11 Cu1 N21 C23 -157.8(4) . .
N31 Cu1 N21 C23 -63.3(4) 3_666 .
O1 Cu1 N21 N22 -135.1(3) 3_666 .
O1 Cu1 N21 N22 -97.6(3) . .
N11 Cu1 N21 N22 16.8(3) . .
N31 Cu1 N21 N22 111.3(3) 3_666 .
C22 C21 N22 N21 0.2(5) . .
C22 C21 N22 C111 164.6(4) . .
C23 N21 N22 C21 -1.1(4) . .
Cu1 N21 N22 C21 -176.7(3) . .
C23 N21 N22 C111 -166.9(3) . .
Cu1 N21 N22 C111 17.5(5) . .
N12 C111 N22 C21 135.0(4) . .
C112 C111 N22 C21 -100.8(5) . .
N12 C111 N22 N21 -62.0(5) . .
C112 C111 N22 N21 62.2(5) . .
C32 C33 N31 N32 0.9(5) . .
C32 C33 N31 Cu1 162.4(3) . 3_666
C32 C31 N32 N31 0.8(5) . .
C32 C31 N32 C118 -179.8(4) . .
C33 N31 N32 C31 -1.0(5) . .
Cu1 N31 N32 C31 -164.1(3) 3_666 .
C33 N31 N32 C118 179.5(4) . .
Cu1 N31 N32 C118 16.5(5) 3_666 .
N42 C118 N32 C31 118.8(4) . .
C116 C118 N32 C31 -115.6(5) . .
N42 C118 N32 N31 -61.9(5) . .
C116 C118 N32 N31 63.7(5) . .
C42 C43 N41 N42 -1.4(5) . .
C42 C43 N41 Cu1 -171.1(3) . 3_666
C42 C41 N42 N41 -0.1(5) . .
C42 C41 N42 C118 -173.8(4) . .
C43 N41 N42 C41 0.9(4) . .
Cu1 N41 N42 C41 171.1(3) 3_666 .
C43 N41 N42 C118 175.2(3) . .
Cu1 N41 N42 C118 -14.7(5) 3_666 .
N32 C118 N42 C41 -124.6(4) . .
C116 C118 N42 C41 110.0(5) . .
N32 C118 N42 N41 62.2(5) . .
C116 C118 N42 N41 -63.3(5) . .
N61 Cu2 O2 Cu2 94.1(4) . 4_565
N81 Cu2 O2 Cu2 -86.0(4) . 4_565
N51 Cu2 O2 Cu2 7.3(6) . 4_565
N71 Cu2 O2 Cu2 -172.5(4) . 4_565
N52 C51 C52 C53 0.7(5) . .
C51 C52 C53 N51 -0.3(5) . .
N62 C61 C62 C63 -1.4(5) . .
C61 C62 C63 N61 0.8(6) . .
N72 C71 C72 C73 0.5(5) . .
C71 C72 C73 N71 0.1(5) . .
N82 C81 C82 C83 -0.4(5) . .
C81 C82 C83 N81 -0.2(5) . .
N52 C121 C122 C123 -26.6(5) . .
N62 C121 C122 C123 -149.3(4) . .
N52 C121 C122 C125 153.5(4) . .
N62 C121 C122 C125 30.9(5) . .
C125 C122 C123 C124 -1.3(7) . .
C121 C122 C123 C124 178.9(4) . .
C122 C123 C124 C123 1.0(8) . 4_565
C123 C122 C125 C122 1.5(8) . 4_565
C121 C122 C125 C122 -178.7(3) . 4_565
N72 C126 C127 C128 -22.7(5) . .
N82 C126 C127 C128 -146.5(4) . .
N72 C126 C127 C130 155.5(4) . .
N82 C126 C127 C130 31.7(5) . .
C130 C127 C128 C129 -1.7(6) . .
C126 C127 C128 C129 176.5(4) . .
C127 C128 C129 C128 -1.0(8) . 4_565
C128 C127 C130 C127 4.4(8) . 4_565
C126 C127 C130 C127 -173.8(3) . 4_565
C52 C53 N51 N52 -0.3(5) . .
C52 C53 N51 Cu2 -169.4(3) . .
O2 Cu2 N51 C53 -133.7(4) . .
N61 Cu2 N51 C53 138.7(4) . .
N81 Cu2 N51 C53 -39.6(4) . .
N71 Cu2 N51 C53 46.1(4) . .
O2 Cu2 N51 N52 58.6(5) . .
N61 Cu2 N51 N52 -29.0(3) . .
N81 Cu2 N51 N52 152.8(3) . .
N71 Cu2 N51 N52 -121.5(3) . .
C52 C51 N52 N51 -1.0(5) . .
C52 C51 N52 C121 -176.9(4) . .
C53 N51 N52 C51 0.8(5) . .
Cu2 N51 N52 C51 171.5(3) . .
C53 N51 N52 C121 177.3(4) . .
Cu2 N51 N52 C121 -12.0(5) . .
N62 C121 N52 C51 -120.0(4) . .
C122 C121 N52 C51 116.3(5) . .
N62 C121 N52 N51 64.2(4) . .
C122 C121 N52 N51 -59.4(5) . .
C62 C63 N61 N62 0.2(5) . .
C62 C63 N61 Cu2 176.9(3) . .
O2 Cu2 N61 C63 61.6(4) . .
N51 Cu2 N61 C63 -146.2(4) . .
N71 Cu2 N61 C63 -54.6(4) . .
O2 Cu2 N61 N62 -122.3(3) . .
N51 Cu2 N61 N62 29.9(3) . .
N71 Cu2 N61 N62 121.5(3) . .
C62 C61 N62 N61 1.7(5) . .
C62 C61 N62 C121 172.9(4) . .
C63 N61 N62 C61 -1.2(5) . .
Cu2 N61 N62 C61 -178.2(3) . .
C63 N61 N62 C121 -173.5(4) . .
Cu2 N61 N62 C121 9.5(5) . .
N52 C121 N62 C61 125.5(4) . .
C122 C121 N62 C61 -110.3(5) . .
N52 C121 N62 N61 -63.8(4) . .
C122 C121 N62 N61 60.4(5) . .
C72 C73 N71 N72 -0.6(5) . .
C72 C73 N71 Cu2 -165.9(3) . .
O2 Cu2 N71 C73 -123.0(4) . .
N61 Cu2 N71 C73 -30.6(4) . .
N81 Cu2 N71 C73 146.1(4) . .
N51 Cu2 N71 C73 57.1(4) . .
O2 Cu2 N71 N72 73.8(3) . .
N61 Cu2 N71 N72 166.1(3) . .
N81 Cu2 N71 N72 -17.2(3) . .
N51 Cu2 N71 N72 -106.2(3) . .
C72 C71 N72 N71 -0.9(5) . .
C72 C71 N72 C126 -170.6(4) . .
C73 N71 N72 C71 0.9(4) . .
Cu2 N71 N72 C71 168.4(3) . .
C73 N71 N72 C126 171.7(3) . .
Cu2 N71 N72 C126 -20.9(4) . .
N82 C126 N72 C71 -126.4(4) . .
C127 C126 N72 C71 109.1(4) . .
N82 C126 N72 N71 64.7(4) . .
C127 C126 N72 N71 -59.9(4) . .
C82 C83 N81 N82 0.7(5) . .
C82 C83 N81 Cu2 172.2(3) . .
O2 Cu2 N81 C83 94.5(4) . .
N51 Cu2 N81 C83 -57.7(4) . .
N71 Cu2 N81 C83 -149.5(4) . .
O2 Cu2 N81 N82 -95.8(3) . .
N51 Cu2 N81 N82 112.0(3) . .
N71 Cu2 N81 N82 20.2(3) . .
C82 C81 N82 N81 0.9(5) . .
C82 C81 N82 C126 173.1(4) . .
C83 N81 N82 C81 -1.0(4) . .
Cu2 N81 N82 C81 -172.7(3) . .
C83 N81 N82 C126 -173.8(4) . .
Cu2 N81 N82 C126 14.5(5) . .
N72 C126 N82 C81 125.1(4) . .
C127 C126 N82 C81 -110.6(4) . .
N72 C126 N82 N81 -63.4(5) . .
C127 C126 N82 N81 60.8(5) . .
