#------------------------------------------------------------------------------
#$Date: 2017-07-25 02:31:55 +0300 (Tue, 25 Jul 2017) $
#$Revision: 198952 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/59/4345950.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_4345950
loop_
_publ_author_name
'Reger, Daniel L.'
'Pascui, Andrea E.'
'Foley, Elizabeth A.'
'Smith, Mark D.'
'Jezierska, Julia'
'Wojciechowska, Agnieszka'
'Stoian, Sebastian A.'
'Ozarowski, Andrew'
_publ_section_title
;
 Dinuclear Metallacycles with Single M-X-M Bridges (X = Cl(-), Br(-); M =
 Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II)): Strong Antiferromagnetic
 Superexchange Interactions.
;
_journal_name_full               'Inorganic chemistry'
_journal_paper_doi               10.1021/acs.inorgchem.6b02933
_journal_year                    2017
_chemical_formula_moiety         'C40 H36 Cu2 N16 Cl, 1.5(C2 H3 N), 3(Cl O4)'
_chemical_formula_sum            'C43 H40.5 Cl4 Cu2 N17.5 O12'
_chemical_formula_weight         1263.31
_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                 103.3430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.3088(6)
_cell_length_b                   42.585(2)
_cell_length_c                   12.0443(7)
_cell_measurement_reflns_used    9446
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.313
_cell_measurement_theta_min      2.244
_cell_volume                     5144.7(5)
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0469
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            68633
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         0.96
_exptl_absorpt_coefficient_mu    1.114
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS Version 2.05 (Bruker, 2001)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             2572
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.723
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     755
_refine_ls_number_reflns         9909
_refine_ls_number_restraints     67
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0576
_refine_ls_R_factor_gt           0.0494
_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)+(0.0443P)²+10.3132P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1205
_reflns_number_gt                8603
_reflns_number_total             9909
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b02933_si_001.cif
_cod_data_source_block           9_15ACN_ef343a2s
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_original_formula_sum        'C43 H40.50 Cl4 Cu2 N17.50 O12'
_cod_database_code               4345950
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 0.36812(5) 0.530893(12) 0.39453(4) 0.04100(14) Uani 1 1 d . . .
Cl1 Cl 0.5497(2) 0.50097(5) 0.4586(2) 0.0557(6) Uani 0.50 1 d P . .
C11 C 0.2044(4) 0.52846(10) 0.0425(3) 0.0435(10) Uani 1 1 d . . .
H11 H 0.1520 0.5179 -0.0219 0.052 Uiso 1 1 calc R . .
C12 C 0.2409(5) 0.55908(11) 0.0472(4) 0.0547(12) Uani 1 1 d . . .
H12 H 0.2204 0.5741 -0.0126 0.066 Uiso 1 1 calc R . .
C13 C 0.3142(5) 0.56379(9) 0.1573(4) 0.0524(11) Uani 1 1 d . . .
H13 H 0.3523 0.5833 0.1858 0.063 Uiso 1 1 calc R . .
C21 C 0.0770(4) 0.46346(10) 0.2826(5) 0.0550(13) Uani 1 1 d . . .
H21 H 0.0281 0.4500 0.2249 0.066 Uiso 1 1 calc R . .
C22 C 0.0583(6) 0.46704(12) 0.3907(6) 0.0766(19) Uani 1 1 d . . .
H22 H -0.0057 0.4567 0.4230 0.092 Uiso 1 1 calc R . .
C23 C 0.1510(6) 0.48868(11) 0.4428(5) 0.0713(17) Uani 1 1 d . . .
H23 H 0.1606 0.4959 0.5189 0.086 Uiso 1 1 calc R . .
C31 C 0.7944(4) 0.38527(9) 0.5175(3) 0.0341(8) Uani 1 1 d . . .
H31 H 0.7817 0.3647 0.4862 0.041 Uiso 1 1 calc R . .
C32 C 0.9075(4) 0.39661(10) 0.5895(3) 0.0405(9) Uani 1 1 d . . .
H32 H 0.9885 0.3856 0.6183 0.049 Uiso 1 1 calc R . .
C33 C 0.8790(4) 0.42726(10) 0.6113(4) 0.0426(9) Uani 1 1 d . . .
H33 H 0.9398 0.4411 0.6588 0.051 Uiso 1 1 calc R . .
C41 C 0.3826(3) 0.39194(9) 0.5292(3) 0.0342(8) Uani 1 1 d . . .
H41 H 0.3577 0.3726 0.4909 0.041 Uiso 1 1 calc R . .
C42 C 0.3255(4) 0.40538(11) 0.6092(3) 0.0459(10) Uani 1 1 d . . .
H42 H 0.2534 0.3973 0.6375 0.055 Uiso 1 1 calc R . .
C43 C 0.3941(4) 0.43318(12) 0.6407(4) 0.0523(12) Uani 1 1 d . . .
H43 H 0.3758 0.4475 0.6955 0.063 Uiso 1 1 calc R . .
C111 C 0.2503(4) 0.48367(8) 0.1836(3) 0.0303(8) Uani 1 1 d . . .
H111 H 0.1989 0.4711 0.1180 0.036 Uiso 1 1 calc R . .
C112 C 0.3882(4) 0.46901(8) 0.2217(3) 0.0288(7) Uani 1 1 d . . .
C113 C 0.4893(4) 0.47804(10) 0.1701(4) 0.0453(10) Uani 1 1 d . . .
H113 H 0.4730 0.4935 0.1117 0.054 Uiso 1 1 calc R . .
C114 C 0.6131(5) 0.46458(12) 0.2038(4) 0.0593(13) Uani 1 1 d . . .
H114 H 0.6820 0.4707 0.1678 0.071 Uiso 1 1 calc R . .
C115 C 0.6390(4) 0.44227(10) 0.2894(4) 0.0451(10) Uani 1 1 d . . .
H115 H 0.7253 0.4332 0.3124 0.054 Uiso 1 1 calc R . .
C116 C 0.5383(3) 0.43310(8) 0.3415(3) 0.0286(7) Uani 1 1 d . . .
C117 C 0.4124(3) 0.44619(7) 0.3059(3) 0.0246(7) Uani 1 1 d . . .
H117 H 0.3424 0.4395 0.3396 0.030 Uiso 1 1 calc R . .
C118 C 0.5672(3) 0.40831(8) 0.4351(3) 0.0257(7) Uani 1 1 d . . .
H118 H 0.5499 0.3873 0.3977 0.031 Uiso 1 1 calc R . .
N11 N 0.3246(3) 0.53755(7) 0.2184(3) 0.0382(7) Uani 1 1 d . . .
N12 N 0.2554(3) 0.51576(7) 0.1452(2) 0.0320(7) Uani 1 1 d . . .
N21 N 0.2255(4) 0.49827(8) 0.3729(3) 0.0448(8) Uani 1 1 d . . .
N22 N 0.1782(3) 0.48269(7) 0.2737(3) 0.0358(7) Uani 1 1 d . . .
N31 N 0.7563(3) 0.43497(7) 0.5578(3) 0.0371(7) Uani 1 1 d . . .
N32 N 0.7048(3) 0.40878(6) 0.4994(2) 0.0271(6) Uani 1 1 d . . .
N41 N 0.4896(3) 0.43698(8) 0.5835(3) 0.0421(8) Uani 1 1 d . . .
N42 N 0.4809(3) 0.41133(7) 0.5149(2) 0.0278(6) Uani 1 1 d . . .
Cu2 Cu 0.72579(4) 0.195382(10) 0.94257(3) 0.02367(11) Uani 1 1 d . . .
Cl2 Cl 0.73978(12) 0.2500 0.92827(11) 0.0328(3) Uani 1 2 d S . .
C51 C 1.0765(4) 0.13999(9) 1.0104(3) 0.0366(8) Uani 1 1 d . . .
H51 H 1.1610 0.1351 1.0584 0.044 Uiso 1 1 calc R . .
C52 C 1.0106(4) 0.12318(10) 0.9187(4) 0.0456(10) Uani 1 1 d . . .
H52 H 1.0383 0.1041 0.8903 0.055 Uiso 1 1 calc R . .
C53 C 0.8940(4) 0.13978(9) 0.8754(3) 0.0377(9) Uani 1 1 d . . .
H53 H 0.8281 0.1336 0.8100 0.045 Uiso 1 1 calc R . .
C61 C 0.9415(4) 0.19779(8) 1.2769(3) 0.0314(8) Uani 1 1 d . . .
H61 H 1.0233 0.1964 1.3326 0.038 Uiso 1 1 calc R . .
C62 C 0.8199(4) 0.20410(10) 1.2970(3) 0.0371(9) Uani 1 1 d . . .
H62 H 0.7993 0.2079 1.3687 0.044 Uiso 1 1 calc R . .
C63 C 0.7317(4) 0.20380(9) 1.1907(3) 0.0333(8) Uani 1 1 d . . .
H63 H 0.6385 0.2074 1.1783 0.040 Uiso 1 1 calc R . .
C71 C 0.3817(4) 0.13904(8) 0.8861(3) 0.0331(8) Uani 1 1 d . . .
H71 H 0.2957 0.1343 0.8407 0.040 Uiso 1 1 calc R . .
C72 C 0.4527(4) 0.12143(9) 0.9736(3) 0.0386(9) Uani 1 1 d . . .
H72 H 0.4263 0.1022 1.0015 0.046 Uiso 1 1 calc R . .
C73 C 0.5720(4) 0.13743(8) 1.0139(3) 0.0333(8) Uani 1 1 d . . .
H73 H 0.6419 0.1305 1.0751 0.040 Uiso 1 1 calc R . .
C81 C 0.5014(4) 0.19174(8) 0.6128(3) 0.0321(8) Uani 1 1 d . . .
H81 H 0.4175 0.1901 0.5601 0.038 Uiso 1 1 calc R . .
C82 C 0.6224(4) 0.19450(9) 0.5862(3) 0.0372(9) Uani 1 1 d . . .
H82 H 0.6399 0.1950 0.5121 0.045 Uiso 1 1 calc R . .
C83 C 0.7149(4) 0.19639(9) 0.6899(3) 0.0334(8) Uani 1 1 d . . .
H83 H 0.8083 0.1986 0.6981 0.040 Uiso 1 1 calc R . .
C121 C 1.0287(3) 0.19110(8) 1.0994(3) 0.0256(7) Uani 1 1 d . . .
H121 H 1.1145 0.1864 1.1551 0.031 Uiso 1 1 calc R . .
C122 C 1.0467(3) 0.22177(8) 1.0390(3) 0.0235(7) Uani 1 1 d . . .
C123 C 1.0724(3) 0.22184(8) 0.9309(3) 0.0265(7) Uani 1 1 d . . .
H123 H 1.0812 0.2026 0.8936 0.032 Uiso 1 1 calc R . .
C124 C 1.0850(5) 0.2500 0.8777(4) 0.0312(11) Uani 1 2 d S . .
H124 H 1.1026 0.2500 0.8036 0.037 Uiso 1 2 calc SR . .
C125 C 1.0356(4) 0.2500 1.0933(4) 0.0230(9) Uani 1 2 d S . .
H125 H 1.0204 0.2500 1.1681 0.028 Uiso 1 2 calc SR . .
C126 C 0.4254(3) 0.19082(8) 0.7977(3) 0.0259(7) Uani 1 1 d . . .
H126 H 0.3358 0.1869 0.7464 0.031 Uiso 1 1 calc R . .
C127 C 0.4188(3) 0.22165(8) 0.8600(3) 0.0236(7) Uani 1 1 d . . .
C128 C 0.4057(3) 0.22180(8) 0.9723(3) 0.0263(7) Uani 1 1 d . . .
H128 H 0.4011 0.2025 1.0109 0.032 Uiso 1 1 calc R . .
C129 C 0.3993(5) 0.2500 1.0278(4) 0.0292(10) Uani 1 2 d S . .
H129 H 0.3905 0.2500 1.1046 0.035 Uiso 1 2 calc SR . .
C130 C 0.4237(4) 0.2500 0.8036(4) 0.0233(9) Uani 1 2 d S . .
H130 H 0.4304 0.2500 0.7263 0.028 Uiso 1 2 calc SR . .
N51 N 0.8861(3) 0.16523(7) 0.9364(2) 0.0290(6) Uani 1 1 d . . .
N52 N 0.9989(3) 0.16502(6) 1.0204(2) 0.0268(6) Uani 1 1 d . . .
N61 N 0.7945(3) 0.19775(7) 1.1088(2) 0.0256(6) Uani 1 1 d . . .
N62 N 0.9246(3) 0.19382(6) 1.1629(2) 0.0246(6) Uani 1 1 d . . .
N71 N 0.5746(3) 0.16374(7) 0.9550(2) 0.0273(6) Uani 1 1 d . . .
N72 N 0.4565(3) 0.16446(7) 0.8759(2) 0.0264(6) Uani 1 1 d . . .
N81 N 0.6549(3) 0.19465(7) 0.7764(2) 0.0270(6) Uani 1 1 d . . .
N82 N 0.5226(3) 0.19175(6) 0.7275(2) 0.0242(6) Uani 1 1 d . . .
Cl11 Cl 0.38746(8) 0.161437(19) 0.27231(7) 0.02932(19) Uani 1 1 d D . .
O11 O 0.5270(3) 0.16188(7) 0.3212(3) 0.0545(8) Uani 1 1 d D . .
O12 O 0.3168(3) 0.17253(7) 0.3543(3) 0.0524(8) Uani 1 1 d D . .
O13 O 0.3556(3) 0.18134(7) 0.1745(2) 0.0518(8) Uani 1 1 d D . .
O14 O 0.3455(3) 0.12963(6) 0.2414(2) 0.0419(6) Uani 1 1 d D . .
Cl21 Cl 0.09006(8) 0.18268(2) 0.60060(7) 0.03096(19) Uani 0.691(8) 1 d P A 1
O21A O -0.0418(3) 0.17677(8) 0.5371(3) 0.0587(9) Uani 0.691(8) 1 d P A 1
O22A O 0.1689(5) 0.15456(11) 0.6161(6) 0.085(3) Uani 0.691(8) 1 d P A 1
O23A O 0.0870(6) 0.1955(2) 0.7020(5) 0.111(3) Uani 0.691(8) 1 d PU A 1
O24A O 0.1577(5) 0.20227(18) 0.5379(6) 0.092(3) Uani 0.691(8) 1 d P A 1
Cl22 Cl 0.09006(8) 0.18268(2) 0.60060(7) 0.03096(19) Uani 0.309(8) 1 d P A 2
O21B O -0.0418(3) 0.17677(8) 0.5371(3) 0.0587(9) Uani 0.309(8) 1 d P A 2
O22B O 0.1149(10) 0.1654(3) 0.7043(9) 0.053(3) Uiso 0.309(8) 1 d P A 2
O23B O 0.1640(13) 0.1731(4) 0.5308(12) 0.075(4) Uiso 0.309(8) 1 d P A 2
O24B O 0.1369(13) 0.2139(3) 0.6328(12) 0.074(4) Uiso 0.309(8) 1 d P A 2
Cl31 Cl 0.1887(5) 0.45452(14) 0.8571(6) 0.0312(4) Uiso 0.332(4) 1 d PD B 3
O31A O 0.1692(18) 0.4271(3) 0.7869(13) 0.033(5) Uiso 0.332(4) 1 d PD B 3
O32A O 0.3243(8) 0.4627(3) 0.8947(11) 0.039(3) Uiso 0.332(4) 1 d PD B 3
O33A O 0.1243(11) 0.4498(2) 0.9538(8) 0.042(2) Uiso 0.332(4) 1 d PD B 3
O34A O 0.1077(10) 0.48053(19) 0.7955(9) 0.045(2) Uiso 0.332(4) 1 d PD B 3
Cl32 Cl 0.1763(3) 0.45892(8) 0.8428(4) 0.0312(4) Uiso 0.425(8) 1 d PD C 4
O31B O 0.1890(10) 0.42600(17) 0.8124(9) 0.045(3) Uiso 0.425(8) 1 d PD C 4
O32B O 0.3023(7) 0.4674(2) 0.9216(7) 0.044(2) Uiso 0.425(8) 1 d PD C 4
O33B O 0.0797(8) 0.4619(2) 0.9111(8) 0.057(2) Uiso 0.425(8) 1 d PD C 4
O34B O 0.1490(9) 0.47789(19) 0.7455(7) 0.065(3) Uiso 0.425(8) 1 d PD C 4
Cl33 Cl 0.1788(6) 0.45479(16) 0.8736(6) 0.0312(4) Uiso 0.244(8) 1 d PD D 5
O31C O 0.1557(18) 0.4315(4) 0.7826(12) 0.034(6) Uiso 0.244(8) 1 d PD D 5
O32C O 0.1870(17) 0.4405(3) 0.9804(9) 0.063(4) Uiso 0.244(8) 1 d PD D 5
O33C O 0.0663(12) 0.4753(3) 0.8445(14) 0.060(4) Uiso 0.244(8) 1 d PD D 5
O34C O 0.3018(12) 0.4712(4) 0.8713(14) 0.050(4) Uiso 0.244(8) 1 d PD D 5
N91 N -0.1404(4) 0.10702(10) 0.1939(4) 0.0620(11) Uani 1 1 d . . .
C91 C -0.0498(4) 0.11317(9) 0.2622(3) 0.0354(8) Uani 1 1 d . . .
C92 C 0.0667(4) 0.12023(11) 0.3499(4) 0.0499(11) Uani 1 1 d . . .
H92A H 0.0893 0.1021 0.4009 0.075 Uiso 1 1 calc R . .
H92B H 0.0490 0.1385 0.3938 0.075 Uiso 1 1 calc R . .
H92C H 0.1415 0.1249 0.3149 0.075 Uiso 1 1 calc R . .
N92 N 0.5501(7) 0.2500 0.3509(5) 0.0634(16) Uani 1 2 d S . .
C93 C 0.4445(7) 0.2500 0.3620(5) 0.0455(14) Uani 1 2 d S . .
C94 C 0.3081(7) 0.2500 0.3756(7) 0.0615(19) Uani 1 2 d S . .
H94A H 0.2762 0.2717 0.3756 0.092 Uiso 0.50 1 calc PR . .
H94B H 0.3048 0.2399 0.4480 0.092 Uiso 0.50 1 calc PR . .
H94C H 0.2512 0.2384 0.3124 0.092 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
N41 Cu1 N21 179.61(16) 3_666 .
N41 Cu1 N11 91.21(13) 3_666 .
N21 Cu1 N11 89.01(13) . .
N41 Cu1 N31 88.03(13) 3_666 3_666
N21 Cu1 N31 92.25(13) . 3_666
N11 Cu1 N31 100.49(13) . 3_666
N41 Cu1 Cl1 100.37(12) 3_666 3_666
N21 Cu1 Cl1 79.28(12) . 3_666
N11 Cu1 Cl1 147.29(11) . 3_666
N31 Cu1 Cl1 110.31(11) 3_666 3_666
N41 Cu1 Cl1 79.24(12) 3_666 .
N21 Cu1 Cl1 100.38(12) . .
N11 Cu1 Cl1 113.17(11) . .
N31 Cu1 Cl1 144.02(11) 3_666 .
Cl1 Cu1 Cl1 41.47(13) 3_666 .
Cl1 Cl1 Cu1 69.72(15) 3_666 3_666
Cl1 Cl1 Cu1 68.81(15) 3_666 .
Cu1 Cl1 Cu1 138.53(13) 3_666 .
N12 C11 C12 107.7(4) . .
N12 C11 H11 126.2 . .
C12 C11 H11 126.2 . .
C11 C12 C13 105.4(4) . .
C11 C12 H12 127.3 . .
C13 C12 H12 127.3 . .
N11 C13 C12 111.5(4) . .
N11 C13 H13 124.3 . .
C12 C13 H13 124.3 . .
N22 C21 C22 106.8(5) . .
N22 C21 H21 126.6 . .
C22 C21 H21 126.6 . .
C21 C22 C23 106.0(4) . .
C21 C22 H22 127.0 . .
C23 C22 H22 127.0 . .
N21 C23 C22 111.1(5) . .
N21 C23 H23 124.5 . .
C22 C23 H23 124.5 . .
N32 C31 C32 107.0(3) . .
N32 C31 H31 126.5 . .
C32 C31 H31 126.5 . .
C31 C32 C33 105.5(3) . .
C31 C32 H32 127.2 . .
C33 C32 H32 127.2 . .
N31 C33 C32 111.4(4) . .
N31 C33 H33 124.3 . .
C32 C33 H33 124.3 . .
N42 C41 C42 107.0(4) . .
N42 C41 H41 126.5 . .
C42 C41 H41 126.5 . .
C41 C42 C43 106.0(4) . .
C41 C42 H42 127.0 . .
C43 C42 H42 127.0 . .
N41 C43 C42 110.7(4) . .
N41 C43 H43 124.7 . .
C42 C43 H43 124.7 . .
N12 C111 N22 109.2(3) . .
N12 C111 C112 112.5(3) . .
N22 C111 C112 111.5(3) . .
N12 C111 H111 107.8 . .
N22 C111 H111 107.8 . .
C112 C111 H111 107.8 . .
C117 C112 C113 119.7(3) . .
C117 C112 C111 120.4(3) . .
C113 C112 C111 119.8(3) . .
C114 C113 C112 119.7(4) . .
C114 C113 H113 120.1 . .
C112 C113 H113 120.1 . .
C113 C114 C115 120.9(4) . .
C113 C114 H114 119.5 . .
C115 C114 H114 119.5 . .
C114 C115 C116 119.7(4) . .
C114 C115 H115 120.2 . .
C116 C115 H115 120.2 . .
C117 C116 C115 119.5(3) . .
C117 C116 C118 121.1(3) . .
C115 C116 C118 119.4(3) . .
C112 C117 C116 120.4(3) . .
C112 C117 H117 119.8 . .
C116 C117 H117 119.8 . .
N32 C118 N42 108.5(3) . .
N32 C118 C116 112.7(3) . .
N42 C118 C116 112.4(3) . .
N32 C118 H118 107.7 . .
N42 C118 H118 107.7 . .
C116 C118 H118 107.7 . .
C13 N11 N12 104.6(3) . .
C13 N11 Cu1 130.5(3) . .
N12 N11 Cu1 121.6(2) . .
C11 N12 N11 111.0(3) . .
C11 N12 C111 129.8(3) . .
N11 N12 C111 119.3(3) . .
C23 N21 N22 105.4(4) . .
C23 N21 Cu1 130.4(4) . .
N22 N21 Cu1 124.1(2) . .
C21 N22 N21 110.8(4) . .
C21 N22 C111 128.0(4) . .
N21 N22 C111 120.2(3) . .
C33 N31 N32 105.3(3) . .
C33 N31 Cu1 127.8(3) . 3_666
N32 N31 Cu1 121.2(2) . 3_666
C31 N32 N31 110.8(3) . .
C31 N32 C118 128.8(3) . .
N31 N32 C118 120.3(3) . .
C43 N41 N42 105.2(3) . .
C43 N41 Cu1 128.8(3) . 3_666
N42 N41 Cu1 125.4(2) . 3_666
C41 N42 N41 111.1(3) . .
C41 N42 C118 128.4(3) . .
N41 N42 C118 120.4(3) . .
N81 Cu2 N61 177.86(12) . .
N81 Cu2 N71 87.40(11) . .
N61 Cu2 N71 93.39(11) . .
N81 Cu2 N51 93.71(11) . .
N61 Cu2 N51 88.06(11) . .
N71 Cu2 N51 102.32(11) . .
N81 Cu2 Cl2 87.46(9) . .
N61 Cu2 Cl2 90.58(9) . .
N71 Cu2 Cl2 134.87(8) . .
N51 Cu2 Cl2 122.74(9) . .
Cu2 Cl2 Cu2 167.79(7) 4_565 .
N52 C51 C52 106.9(3) . .
N52 C51 H51 126.5 . .
C52 C51 H51 126.5 . .
C51 C52 C53 105.4(3) . .
C51 C52 H52 127.3 . .
C53 C52 H52 127.3 . .
N51 C53 C52 111.5(3) . .
N51 C53 H53 124.2 . .
C52 C53 H53 124.2 . .
N62 C61 C62 107.3(3) . .
N62 C61 H61 126.4 . .
C62 C61 H61 126.4 . .
C61 C62 C63 105.6(3) . .
C61 C62 H62 127.2 . .
C63 C62 H62 127.2 . .
N61 C63 C62 111.1(3) . .
N61 C63 H63 124.5 . .
C62 C63 H63 124.5 . .
N72 C71 C72 107.2(3) . .
N72 C71 H71 126.4 . .
C72 C71 H71 126.4 . .
C71 C72 C73 105.9(3) . .
C71 C72 H72 127.0 . .
C73 C72 H72 127.0 . .
N71 C73 C72 110.6(3) . .
N71 C73 H73 124.7 . .
C72 C73 H73 124.7 . .
N82 C81 C82 107.5(3) . .
N82 C81 H81 126.2 . .
C82 C81 H81 126.2 . .
C81 C82 C83 105.6(3) . .
C81 C82 H82 127.2 . .
C83 C82 H82 127.2 . .
N81 C83 C82 110.7(3) . .
N81 C83 H83 124.6 . .
C82 C83 H83 124.6 . .
N52 C121 N62 109.6(3) . .
N52 C121 C122 111.9(3) . .
N62 C121 C122 111.5(3) . .
N52 C121 H121 107.9 . .
N62 C121 H121 107.9 . .
C122 C121 H121 107.9 . .
C125 C122 C123 119.7(3) . .
C125 C122 C121 119.0(3) . .
C123 C122 C121 121.3(3) . .
C124 C123 C122 119.8(3) . .
C124 C123 H123 120.1 . .
C122 C123 H123 120.1 . .
C123 C124 C123 120.7(5) . 4_565
C123 C124 H124 119.7 . .
C123 C124 H124 119.7 4_565 .
C122 C125 C122 120.3(4) 4_565 .
C122 C125 H125 119.8 4_565 .
C122 C125 H125 119.8 . .
N82 C126 N72 108.7(3) . .
N82 C126 C127 112.3(3) . .
N72 C126 C127 112.0(3) . .
N82 C126 H126 107.9 . .
N72 C126 H126 107.9 . .
C127 C126 H126 107.9 . .
C128 C127 C130 119.6(3) . .
C128 C127 C126 120.6(3) . .
C130 C127 C126 119.8(3) . .
C129 C128 C127 120.0(3) . .
C129 C128 H128 120.0 . .
C127 C128 H128 120.0 . .
C128 C129 C128 120.4(4) . 4_565
C128 C129 H129 119.8 . .
C128 C129 H129 119.8 4_565 .
C127 C130 C127 120.3(4) . 4_565
C127 C130 H130 119.8 . .
C127 C130 H130 119.8 4_565 .
C53 N51 N52 105.0(3) . .
C53 N51 Cu2 131.9(2) . .
N52 N51 Cu2 121.5(2) . .
N51 N52 C51 111.2(3) . .
N51 N52 C121 120.1(3) . .
C51 N52 C121 128.4(3) . .
C63 N61 N62 105.4(3) . .
C63 N61 Cu2 130.2(2) . .
N62 N61 Cu2 124.4(2) . .
C61 N62 N61 110.6(3) . .
C61 N62 C121 127.2(3) . .
N61 N62 C121 121.4(3) . .
C73 N71 N72 105.5(3) . .
C73 N71 Cu2 133.5(2) . .
N72 N71 Cu2 119.7(2) . .
C71 N72 N71 110.8(3) . .
C71 N72 C126 129.3(3) . .
N71 N72 C126 119.9(3) . .
C83 N81 N82 105.5(3) . .
C83 N81 Cu2 131.7(2) . .
N82 N81 Cu2 122.8(2) . .
C81 N82 N81 110.6(3) . .
C81 N82 C126 128.8(3) . .
N81 N82 C126 120.5(3) . .
O11 Cl11 O13 110.60(18) . .
O11 Cl11 O12 109.6(2) . .
O13 Cl11 O12 108.41(19) . .
O11 Cl11 O14 109.43(17) . .
O13 Cl11 O14 110.26(18) . .
O12 Cl11 O14 108.46(17) . .
O23A Cl21 O24A 111.3(5) . .
O23A Cl21 O21A 109.9(3) . .
O24A Cl21 O21A 110.2(3) . .
O23A Cl21 O22A 110.6(5) . .
O24A Cl21 O22A 103.2(4) . .
O21A Cl21 O22A 111.4(2) . .
O32A Cl31 O31A 112.7(9) . .
O32A Cl31 O34A 112.3(7) . .
O31A Cl31 O34A 109.2(9) . .
O32A Cl31 O33A 111.8(8) . .
O31A Cl31 O33A 109.0(8) . .
O34A Cl31 O33A 101.1(6) . .
O34B Cl32 O33B 113.3(6) . .
O34B Cl32 O31B 110.9(6) . .
O33B Cl32 O31B 110.1(6) . .
O34B Cl32 O32B 112.2(5) . .
O33B Cl32 O32B 103.6(6) . .
O31B Cl32 O32B 106.3(6) . .
O32C Cl33 O33C 111.3(9) . .
O32C Cl33 O34C 110.9(9) . .
O33C Cl33 O34C 111.3(10) . .
O32C Cl33 O31C 111.0(10) . .
O33C Cl33 O31C 104.5(9) . .
O34C Cl33 O31C 107.7(10) . .
N91 C91 C92 178.6(5) . .
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 179.7(7) . .
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 N41 1.978(3) 3_666
Cu1 N21 1.996(4) .
Cu1 N11 2.084(3) .
Cu1 N31 2.104(3) 3_666
Cu1 Cl1 2.235(2) 3_666
Cu1 Cl1 2.248(2) .
Cu1 Cu1 4.1932(11) 3_666
Cl1 Cl1 1.587(5) 3_666
Cl1 Cu1 2.235(2) 3_666
C11 N12 1.342(5) .
C11 C12 1.355(6) .
C11 H11 0.9500 .
C12 C13 1.382(6) .
C12 H12 0.9500 .
C13 N11 1.328(5) .
C13 H13 0.9500 .
C21 N22 1.350(5) .
C21 C22 1.367(8) .
C21 H21 0.9500 .
C22 C23 1.371(8) .
C22 H22 0.9500 .
C23 N21 1.328(6) .
C23 H23 0.9500 .
C31 N32 1.345(4) .
C31 C32 1.371(5) .
C31 H31 0.9500 .
C32 C33 1.377(6) .
C32 H32 0.9500 .
C33 N31 1.322(5) .
C33 H33 0.9500 .
C41 N42 1.349(5) .
C41 C42 1.365(6) .
C41 H41 0.9500 .
C42 C43 1.386(6) .
C42 H42 0.9500 .
C43 N41 1.335(5) .
C43 H43 0.9500 .
C111 N12 1.447(4) .
C111 N22 1.451(5) .
C111 C112 1.523(5) .
C111 H111 1.0000 .
C112 C117 1.385(5) .
C112 C113 1.386(5) .
C113 C114 1.372(6) .
C113 H113 0.9500 .
C114 C115 1.382(6) .
C114 H114 0.9500 .
C115 C116 1.387(5) .
C115 H115 0.9500 .
C116 C117 1.386(5) .
C116 C118 1.524(5) .
C117 H117 0.9500 .
C118 N32 1.451(4) .
C118 N42 1.458(4) .
C118 H118 1.0000 .
N11 N12 1.362(4) .
N21 N22 1.355(5) .
N31 N32 1.360(4) .
N31 Cu1 2.104(3) 3_666
N41 N42 1.360(4) .
N41 Cu1 1.978(3) 3_666
Cu2 N81 1.966(3) .
Cu2 N61 1.966(3) .
Cu2 N71 2.092(3) .
Cu2 N51 2.108(3) .
Cu2 Cl2 2.3392(5) .
Cu2 Cu2 4.6519(8) 4_565
Cl2 Cu2 2.3392(4) 4_565
C51 N52 1.355(4) .
C51 C52 1.360(6) .
C51 H51 0.9500 .
C52 C53 1.388(6) .
C52 H52 0.9500 .
C53 N51 1.323(5) .
C53 H53 0.9500 .
C61 N62 1.354(4) .
C61 C62 1.358(5) .
C61 H61 0.9500 .
C62 C63 1.389(5) .
C62 H62 0.9500 .
C63 N61 1.324(4) .
C63 H63 0.9500 .
C71 N72 1.351(4) .
C71 C72 1.361(5) .
C71 H71 0.9500 .
C72 C73 1.392(5) .
C72 H72 0.9500 .
C73 N71 1.330(4) .
C73 H73 0.9500 .
C81 N82 1.348(4) .
C81 C82 1.363(5) .
C81 H81 0.9500 .
C82 C83 1.388(5) .
C82 H82 0.9500 .
C83 N81 1.331(4) .
C83 H83 0.9500 .
C121 N52 1.448(4) .
C121 N62 1.459(4) .
C121 C122 1.527(5) .
C121 H121 1.0000 .
C122 C125 1.386(4) .
C122 C123 1.387(5) .
C123 C124 1.380(4) .
C123 H123 0.9500 .
C124 C123 1.380(4) 4_565
C124 H124 0.9500 .
C125 C122 1.386(4) 4_565
C125 H125 0.9500 .
C126 N82 1.453(4) .
C126 N72 1.453(4) .
C126 C127 1.522(5) .
C126 H126 1.0000 .
C127 C128 1.389(4) .
C127 C130 1.392(4) .
C128 C129 1.384(4) .
C128 H128 0.9500 .
C129 C128 1.384(4) 4_565
C129 H129 0.9500 .
C130 C127 1.392(4) 4_565
C130 H130 0.9500 .
N51 N52 1.354(4) .
N61 N62 1.360(4) .
N71 N72 1.363(4) .
N81 N82 1.361(4) .
Cl11 O11 1.423(3) .
Cl11 O13 1.427(3) .
Cl11 O12 1.435(3) .
Cl11 O14 1.444(3) .
Cl21 O23A 1.346(5) .
Cl21 O24A 1.413(5) .
Cl21 O21A 1.420(3) .
Cl21 O22A 1.435(5) .
Cl31 O32A 1.410(8) .
Cl31 O31A 1.428(8) .
Cl31 O34A 1.479(8) .
Cl31 O33A 1.481(8) .
Cl32 O34B 1.397(7) .
Cl32 O33B 1.436(7) .
Cl32 O31B 1.462(7) .
Cl32 O32B 1.465(7) .
Cl33 O32C 1.408(10) .
Cl33 O33C 1.430(10) .
Cl33 O34C 1.454(10) .
Cl33 O31C 1.456(9) .
N91 C91 1.124(5) .
C91 C92 1.437(6) .
C92 H92A 0.9800 .
C92 H92B 0.9800 .
C92 H92C 0.9800 .
N92 C93 1.128(8) .
C93 C94 1.452(10) .
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 Cl1 Cl1 119.45(18) 3_666 3_666
N21 Cu1 Cl1 Cl1 -60.48(18) . 3_666
N11 Cu1 Cl1 Cl1 -153.87(16) . 3_666
N31 Cu1 Cl1 Cl1 48.2(3) 3_666 3_666
N41 Cu1 Cl1 Cu1 119.45(18) 3_666 3_666
N21 Cu1 Cl1 Cu1 -60.48(18) . 3_666
N11 Cu1 Cl1 Cu1 -153.87(16) . 3_666
N31 Cu1 Cl1 Cu1 48.2(3) 3_666 3_666
Cl1 Cu1 Cl1 Cu1 0.0 3_666 3_666
N12 C11 C12 C13 -0.6(5) . .
C11 C12 C13 N11 0.7(6) . .
N22 C21 C22 C23 0.0(5) . .
C21 C22 C23 N21 -0.5(6) . .
N32 C31 C32 C33 -0.1(5) . .
C31 C32 C33 N31 0.4(5) . .
N42 C41 C42 C43 0.0(4) . .
C41 C42 C43 N41 -0.1(5) . .
N12 C111 C112 C117 149.8(3) . .
N22 C111 C112 C117 26.7(4) . .
N12 C111 C112 C113 -31.6(5) . .
N22 C111 C112 C113 -154.7(3) . .
C117 C112 C113 C114 -0.8(6) . .
C111 C112 C113 C114 -179.4(4) . .
C112 C113 C114 C115 -0.6(8) . .
C113 C114 C115 C116 0.5(8) . .
C114 C115 C116 C117 0.8(6) . .
C114 C115 C116 C118 179.5(4) . .
C113 C112 C117 C116 2.1(5) . .
C111 C112 C117 C116 -179.3(3) . .
C115 C116 C117 C112 -2.1(5) . .
C118 C116 C117 C112 179.2(3) . .
C117 C116 C118 N32 -150.9(3) . .
C115 C116 C118 N32 30.4(5) . .
C117 C116 C118 N42 -27.9(4) . .
C115 C116 C118 N42 153.4(3) . .
C12 C13 N11 N12 -0.4(5) . .
C12 C13 N11 Cu1 -159.2(3) . .
N41 Cu1 N11 C13 -42.7(4) 3_666 .
N21 Cu1 N11 C13 137.6(4) . .
N31 Cu1 N11 C13 45.5(4) 3_666 .
Cl1 Cu1 N11 C13 -154.2(3) 3_666 .
Cl1 Cu1 N11 C13 -121.5(4) . .
N41 Cu1 N11 N12 161.5(3) 3_666 .
N21 Cu1 N11 N12 -18.2(3) . .
N31 Cu1 N11 N12 -110.3(3) 3_666 .
Cl1 Cu1 N11 N12 50.0(4) 3_666 .
Cl1 Cu1 N11 N12 82.7(3) . .
C12 C11 N12 N11 0.4(5) . .
C12 C11 N12 C111 -177.2(4) . .
C13 N11 N12 C11 0.0(5) . .
Cu1 N11 N12 C11 161.2(3) . .
C13 N11 N12 C111 177.8(4) . .
Cu1 N11 N12 C111 -21.0(4) . .
N22 C111 N12 C11 -117.2(4) . .
C112 C111 N12 C11 118.4(4) . .
N22 C111 N12 N11 65.4(4) . .
C112 C111 N12 N11 -59.0(4) . .
C22 C23 N21 N22 0.8(5) . .
C22 C23 N21 Cu1 176.0(3) . .
N11 Cu1 N21 C23 -152.9(4) . .
N31 Cu1 N21 C23 -52.4(4) 3_666 .
Cl1 Cu1 N21 C23 57.8(4) 3_666 .
Cl1 Cu1 N21 C23 93.7(4) . .
N11 Cu1 N21 N22 21.5(3) . .
N31 Cu1 N21 N22 122.0(3) 3_666 .
Cl1 Cu1 N21 N22 -127.7(3) 3_666 .
Cl1 Cu1 N21 N22 -91.8(3) . .
C22 C21 N22 N21 0.5(5) . .
C22 C21 N22 C111 168.7(4) . .
C23 N21 N22 C21 -0.8(4) . .
Cu1 N21 N22 C21 -176.4(3) . .
C23 N21 N22 C111 -170.1(3) . .
Cu1 N21 N22 C111 14.3(4) . .
N12 C111 N22 C21 130.3(4) . .
C112 C111 N22 C21 -104.7(4) . .
N12 C111 N22 N21 -62.4(4) . .
C112 C111 N22 N21 62.6(4) . .
C32 C33 N31 N32 -0.5(5) . .
C32 C33 N31 Cu1 152.7(3) . 3_666
C32 C31 N32 N31 -0.2(4) . .
C32 C31 N32 C118 -176.0(3) . .
C33 N31 N32 C31 0.4(4) . .
Cu1 N31 N32 C31 -155.0(3) 3_666 .
C33 N31 N32 C118 176.6(3) . .
Cu1 N31 N32 C118 21.2(4) 3_666 .
N42 C118 N32 C31 110.7(4) . .
C116 C118 N32 C31 -124.1(4) . .
N42 C118 N32 N31 -64.8(4) . .
C116 C118 N32 N31 60.4(4) . .
C42 C43 N41 N42 0.2(5) . .
C42 C43 N41 Cu1 -171.9(3) . 3_666
C42 C41 N42 N41 0.2(4) . .
C42 C41 N42 C118 -176.8(3) . .
C43 N41 N42 C41 -0.2(4) . .
Cu1 N41 N42 C41 172.2(3) 3_666 .
C43 N41 N42 C118 177.0(3) . .
Cu1 N41 N42 C118 -10.5(5) 3_666 .
N32 C118 N42 C41 -123.8(3) . .
C116 C118 N42 C41 110.8(4) . .
N32 C118 N42 N41 59.4(4) . .
C116 C118 N42 N41 -65.9(4) . .
N81 Cu2 Cl2 Cu2 124.4(3) . 4_565
N61 Cu2 Cl2 Cu2 -54.8(3) . 4_565
N71 Cu2 Cl2 Cu2 40.6(3) . 4_565
N51 Cu2 Cl2 Cu2 -142.8(3) . 4_565
N52 C51 C52 C53 1.1(5) . .
C51 C52 C53 N51 -0.6(5) . .
N62 C61 C62 C63 -0.2(4) . .
C61 C62 C63 N61 -0.2(5) . .
N72 C71 C72 C73 -0.2(4) . .
C71 C72 C73 N71 0.4(4) . .
N82 C81 C82 C83 -0.5(4) . .
C81 C82 C83 N81 0.5(4) . .
N52 C121 C122 C125 160.8(3) . .
N62 C121 C122 C125 37.6(4) . .
N52 C121 C122 C123 -18.6(4) . .
N62 C121 C122 C123 -141.8(3) . .
C125 C122 C123 C124 -0.9(5) . .
C121 C122 C123 C124 178.5(3) . .
C122 C123 C124 C123 0.0(7) . 4_565
C123 C122 C125 C122 1.7(6) . 4_565
C121 C122 C125 C122 -177.7(3) . 4_565
N82 C126 C127 C128 -139.8(3) . .
N72 C126 C127 C128 -17.2(4) . .
N82 C126 C127 C130 41.3(4) . .
N72 C126 C127 C130 163.9(3) . .
C130 C127 C128 C129 -0.9(5) . .
C126 C127 C128 C129 -179.8(3) . .
C127 C128 C129 C128 0.1(7) . 4_565
C128 C127 C130 C127 1.6(6) . 4_565
C126 C127 C130 C127 -179.5(2) . 4_565
C52 C53 N51 N52 -0.2(4) . .
C52 C53 N51 Cu2 -165.3(3) . .
N81 Cu2 N51 C53 -40.4(4) . .
N61 Cu2 N51 C53 140.8(4) . .
N71 Cu2 N51 C53 47.8(4) . .
Cl2 Cu2 N51 C53 -129.7(3) . .
N81 Cu2 N51 N52 156.5(3) . .
N61 Cu2 N51 N52 -22.3(3) . .
N71 Cu2 N51 N52 -115.3(2) . .
Cl2 Cu2 N51 N52 67.2(3) . .
C53 N51 N52 C51 0.9(4) . .
Cu2 N51 N52 C51 168.0(2) . .
C53 N51 N52 C121 175.4(3) . .
Cu2 N51 N52 C121 -17.6(4) . .
C52 C51 N52 N51 -1.3(4) . .
C52 C51 N52 C121 -175.2(3) . .
N62 C121 N52 N51 61.8(4) . .
C122 C121 N52 N51 -62.5(4) . .
N62 C121 N52 C51 -124.8(4) . .
C122 C121 N52 C51 110.9(4) . .
C62 C63 N61 N62 0.5(4) . .
C62 C63 N61 Cu2 -178.1(3) . .
N71 Cu2 N61 C63 -52.2(3) . .
N51 Cu2 N61 C63 -154.5(3) . .
Cl2 Cu2 N61 C63 82.8(3) . .
N71 Cu2 N61 N62 129.3(3) . .
N51 Cu2 N61 N62 27.1(3) . .
Cl2 Cu2 N61 N62 -95.7(2) . .
C62 C61 N62 N61 0.6(4) . .
C62 C61 N62 C121 170.5(3) . .
C63 N61 N62 C61 -0.7(4) . .
Cu2 N61 N62 C61 178.0(2) . .
C63 N61 N62 C121 -171.3(3) . .
Cu2 N61 N62 C121 7.5(4) . .
N52 C121 N62 C61 133.5(3) . .
C122 C121 N62 C61 -101.9(4) . .
N52 C121 N62 N61 -57.5(4) . .
C122 C121 N62 N61 67.0(4) . .
C72 C73 N71 N72 -0.4(4) . .
C72 C73 N71 Cu2 -166.9(3) . .
N81 Cu2 N71 C73 135.0(3) . .
N61 Cu2 N71 C73 -47.0(3) . .
N51 Cu2 N71 C73 41.8(3) . .
Cl2 Cu2 N71 C73 -141.2(3) . .
N81 Cu2 N71 N72 -30.0(2) . .
N61 Cu2 N71 N72 148.0(2) . .
N51 Cu2 N71 N72 -123.2(2) . .
Cl2 Cu2 N71 N72 53.8(3) . .
C72 C71 N72 N71 0.0(4) . .
C72 C71 N72 C126 -178.4(3) . .
C73 N71 N72 C71 0.2(4) . .
Cu2 N71 N72 C71 169.0(2) . .
C73 N71 N72 C126 178.8(3) . .
Cu2 N71 N72 C126 -12.4(4) . .
N82 C126 N72 C71 -119.1(4) . .
C127 C126 N72 C71 116.3(4) . .
N82 C126 N72 N71 62.7(4) . .
C127 C126 N72 N71 -62.0(4) . .
C82 C83 N81 N82 -0.3(4) . .
C82 C83 N81 Cu2 179.3(3) . .
N71 Cu2 N81 C83 -145.0(3) . .
N51 Cu2 N81 C83 -42.8(3) . .
Cl2 Cu2 N81 C83 79.9(3) . .
N71 Cu2 N81 N82 34.5(3) . .
N51 Cu2 N81 N82 136.7(2) . .
Cl2 Cu2 N81 N82 -100.6(2) . .
C82 C81 N82 N81 0.4(4) . .
C82 C81 N82 C126 176.9(3) . .
C83 N81 N82 C81 -0.1(4) . .
Cu2 N81 N82 C81 -179.7(2) . .
C83 N81 N82 C126 -176.9(3) . .
Cu2 N81 N82 C126 3.5(4) . .
N72 C126 N82 C81 124.9(3) . .
C127 C126 N82 C81 -110.6(4) . .
N72 C126 N82 N81 -58.9(4) . .
C127 C126 N82 N81 65.6(4) . .
