#------------------------------------------------------------------------------
#$Date: 2019-03-05 10:52:05 +0200 (Tue, 05 Mar 2019) $
#$Revision: 213973 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/23/7102392.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_7102392
loop_
_publ_author_name
'Saha, Manas K'
'Bernal, Ivan'
'Fronczek, Frank R'
_publ_section_title
;
 Novel ambient light induced trimerization of a simple copper(II)
 monomeric Schiff base complex.
;
_journal_issue                   1
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              84
_journal_page_last               85
_journal_paper_doi               10.1039/b310764g
_journal_year                    2004
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C52 H86 Cl8 Cu2 N8 O9'
_chemical_formula_sum            'C52 H86 Cl8 Cu2 N8 O9'
_chemical_formula_weight         1377.97
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                107.37(2)
_cell_angle_beta                 92.56(2)
_cell_angle_gamma                99.28(2)
_cell_formula_units_Z            2
_cell_length_a                   13.206(6)
_cell_length_b                   15.113(6)
_cell_length_c                   16.999(8)
_cell_measurement_reflns_used    10691
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.5
_cell_measurement_wavelength     0.71073
_cell_volume                     3180(2)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'KappaCCD (with Oxford Cryostream)'
_diffrn_measurement_method       ' ω scans with κ offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0814
_diffrn_reflns_av_unetI/netI     0.1355
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20881
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    1.062
_exptl_absorpt_correction_T_max  0.9654
_exptl_absorpt_correction_T_min  0.7978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'HKL Scalepack (Otwinowski & Minor 1997)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.558
_refine_diff_density_min         -0.765
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       0.0000(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1000
_refine_ls_number_reflns         11060
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.1411
_refine_ls_R_factor_gt           0.0648
_refine_ls_shift/su_max          2.308
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0848P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1477
_refine_ls_wR_factor_ref         0.1785
_reflns_number_gt                6005
_reflns_number_total             11060
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b310764g.txt
_cod_data_source_block           Compound2
_cod_database_code               7102392
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-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
C1 C 0.7298(5) 0.3733(5) 0.2188(4) 0.0261(15) Uani 1 1 d .
C2 C 0.8317(5) 0.3945(6) 0.2598(5) 0.0344(18) Uani 1 1 d .
C3 C 0.8869(5) 0.3237(6) 0.2565(5) 0.0343(18) Uani 1 1 d .
C4 C 0.8476(5) 0.2307(6) 0.2129(5) 0.0365(18) Uani 1 1 d .
C5 C 0.7497(5) 0.2076(5) 0.1709(4) 0.0360(18) Uani 1 1 d .
C6 C 0.6896(5) 0.2778(5) 0.1737(4) 0.0285(16) Uani 1 1 d .
C7 C 0.5879(5) 0.2471(5) 0.1301(4) 0.0277(16) Uani 1 1 d .
C8 C 0.4215(5) 0.2522(6) 0.0767(4) 0.0300(16) Uani 1 1 d .
C9 C 0.3361(5) 0.2274(6) 0.1272(4) 0.0314(17) Uani 1 1 d .
C10 C 0.2353(5) 0.1993(6) 0.0716(4) 0.0328(17) Uani 1 1 d .
C11 C 0.1365(6) 0.1985(6) 0.1928(5) 0.039(2) Uani 1 1 d .
C12 C 0.1601(7) 0.0478(6) 0.0939(6) 0.044(2) Uani 1 1 d .
C13 C 0.0486(6) 0.1377(6) 0.0516(5) 0.0396(19) Uani 1 1 d .
C14 C 0.3361(5) 0.4751(5) 0.1787(4) 0.0260(15) Uani 1 1 d .
C15 C 0.2361(5) 0.4543(5) 0.1386(5) 0.0329(17) Uani 1 1 d .
C16 C 0.1512(5) 0.4677(5) 0.1815(4) 0.0344(17) Uani 1 1 d .
C17 C 0.1618(5) 0.5042(5) 0.2670(4) 0.0337(17) Uani 1 1 d .
C18 C 0.2592(5) 0.5304(5) 0.3087(4) 0.0292(16) Uani 1 1 d .
C19 C 0.3467(4) 0.5169(5) 0.2662(4) 0.0249(15) Uani 1 1 d .
C20 C 0.4466(5) 0.5556(5) 0.3141(4) 0.0223(14) Uani 1 1 d .
C21 C 0.6249(5) 0.5932(5) 0.3484(4) 0.0284(16) Uani 1 1 d .
C22 C 0.6963(5) 0.6639(5) 0.3193(4) 0.0262(15) Uani 1 1 d .
C23 C 0.7738(5) 0.7184(5) 0.3918(4) 0.0275(16) Uani 1 1 d .
C24 C 0.9233(6) 0.8381(6) 0.4603(5) 0.038(2) Uani 1 1 d .
C25 C 0.8034(7) 0.8714(7) 0.3643(6) 0.044(2) Uani 1 1 d .
C26 C 0.9141(6) 0.7629(5) 0.3081(4) 0.0342(17) Uani 1 1 d .
C27 C 0.7048(5) 0.5056(6) 0.0639(4) 0.0332(18) Uani 1 1 d .
C28 C 0.7859(6) 0.4553(7) 0.0576(5) 0.0380(19) Uani 1 1 d .
C29 C 0.8867(5) 0.4989(8) 0.0654(5) 0.048(2) Uani 1 1 d .
C30 C 0.9130(6) 0.5958(7) 0.0839(5) 0.048(2) Uani 1 1 d .
C31 C 0.8357(6) 0.6462(7) 0.0927(4) 0.042(2) Uani 1 1 d .
C32 C 0.7304(5) 0.6040(6) 0.0823(4) 0.0346(17) Uani 1 1 d .
C33 C 0.6543(6) 0.6640(6) 0.0938(4) 0.0370(18) Uani 1 1 d .
C34 C 0.4912(6) 0.7046(6) 0.0842(5) 0.0391(18) Uani 1 1 d .
C35 C 0.4196(7) 0.7032(7) 0.1512(6) 0.050(2) Uani 1 1 d .
C36 C 0.3468(6) 0.7708(6) 0.1452(5) 0.055(2) Uani 1 1 d .
H48 H 0.3861 0.8241 0.1326 0.066 Uiso 1 1 calc R
H49 H 0.2948 0.7386 0.0991 0.066 Uiso 1 1 calc R
C37 C 0.3733(7) 0.8753(7) 0.2883(6) 0.070(3) Uani 1 1 d .
H50 H 0.4089 0.9235 0.2681 0.106 Uiso 1 1 calc R
H51 H 0.4219 0.8413 0.304 0.106 Uiso 1 1 calc R
H52 H 0.3391 0.9039 0.3355 0.106 Uiso 1 1 calc R
C38 C 0.2397(9) 0.7343(8) 0.2519(9) 0.077(4) Uani 1 1 d .
C39 C 0.2247(6) 0.8703(6) 0.2037(5) 0.0398(19) Uani 1 1 d .
C40 C 0.2769(5) 0.4556(5) 0.4823(4) 0.0246(15) Uani 1 1 d .
C41 C 0.1815(5) 0.4782(5) 0.5113(4) 0.0284(16) Uani 1 1 d .
C42 C 0.0908(5) 0.4157(6) 0.4877(5) 0.0344(18) Uani 1 1 d .
C43 C 0.0881(5) 0.3257(6) 0.4321(5) 0.0333(18) Uani 1 1 d .
C44 C 0.1765(5) 0.3022(6) 0.4030(5) 0.0312(18) Uani 1 1 d .
C45 C 0.2719(4) 0.3643(5) 0.4264(4) 0.0234(15) Uani 1 1 d .
C46 C 0.3626(5) 0.3344(6) 0.3919(4) 0.0259(17) Uani 1 1 d .
C47 C 0.5331(5) 0.3273(5) 0.3631(4) 0.0263(15) Uani 1 1 d .
C48 C 0.5710(5) 0.2664(5) 0.4110(5) 0.0260(15) Uani 1 1 d .
C49 C 0.6514(5) 0.2150(6) 0.3664(5) 0.0261(15) Uani 1 1 d .
C50 C 0.7780(7) 0.1107(7) 0.3636(7) 0.038(2) Uani 1 1 d .
C51 C 0.6048(6) 0.0646(6) 0.3996(6) 0.042(2) Uani 1 1 d .
C52 C 0.7213(6) 0.1932(6) 0.4980(4) 0.0369(18) Uani 1 1 d .
N1 N 0.5198(4) 0.2992(4) 0.1279(3) 0.0250(12) Uani 1 1 d .
N2 N 0.1465(4) 0.1476(4) 0.1038(3) 0.0304(13) Uani 1 1 d .
N3 N 0.5344(4) 0.5432(4) 0.2886(3) 0.0296(13) Uani 1 1 d .
N4 N 0.8543(4) 0.7962(4) 0.3808(3) 0.0299(13) Uani 1 1 d .
N5 N 0.5561(4) 0.6326(4) 0.0705(3) 0.0322(14) Uani 1 1 d .
N6 N 0.2938(4) 0.8076(4) 0.2202(4) 0.0381(15) Uani 1 1 d .
N7 N 0.4569(4) 0.3776(4) 0.4090(3) 0.0253(12) Uani 1 1 d .
N8 N 0.6892(4) 0.1465(4) 0.4060(3) 0.0288(13) Uani 1 1 d .
O1 O 0.6811(3) 0.4430(3) 0.2244(3) 0.0289(10) Uani 1 1 d .
O2 O 0.4151(3) 0.4561(3) 0.1366(3) 0.0306(11) Uani 1 1 d .
O3 O 0.6086(3) 0.4601(4) 0.0530(3) 0.0386(12) Uani 1 1 d .
O4 O 0.3611(3) 0.5184(3) 0.5078(3) 0.0275(10) Uani 1 1 d .
OW1 O 0.6904(5) 0.8973(5) 0.1953(5) 0.093(2) Uani 1 1 d .
OW2 O 0.3384(4) 0.1026(4) 0.2618(3) 0.0439(13) Uani 1 1 d .
OW3 O 0.6330(7) 0.9979(7) 0.9970(7) 0.184(5) Uani 1 1 d .
OW4 O 0.3181(4) 0.1204(4) 0.4245(3) 0.0483(13) Uani 1 1 d .
OW5 O 0.0022(4) 0.0622(4) 0.3390(3) 0.0554(15) Uani 1 1 d .
Cl1 Cl 0.01375(14) 0.24734(15) 0.05728(12) 0.0461(5) Uani 1 1 d .
Cl2 Cl 0.97542(13) 0.66950(14) 0.31530(11) 0.0421(5) Uani 1 1 d .
Cl3 Cl 0.1226(2) 0.8101(2) 0.1301(2) 0.1106(12) Uani 1 1 d .
Cl4 Cl 0.81915(13) 0.29308(14) 0.51642(11) 0.0413(5) Uani 1 1 d .
Cl5 Cl 0.90506(15) 0.97775(16) 0.15161(12) 0.0533(5) Uani 1 1 d .
Cl6 Cl 0.15351(12) 0.94238(13) 0.40652(11) 0.0368(4) Uani 1 1 d .
Cl7 Cl 0.51878(18) 0.01446(18) 0.16949(15) 0.0682(7) Uani 1 1 d .
Cl8 Cl 0.47140(13) 0.18618(14) 0.58056(11) 0.0408(5) Uani 1 1 d .
Cu1 Cu 0.54298(6) 0.43832(6) 0.18473(5) 0.0274(2) Uani 1 1 d .
Cu2 Cu 0.5 0.5 0 0.0341(3) Uani 1 2 d S
Cu3 Cu 0.5 0.5 0.5 0.0243(3) Uani 1 2 d S
H1 H 0.859(6) 0.454(5) 0.289(5) 0.05(2) Uiso 1 1 d .
H2 H 0.953(5) 0.340(4) 0.281(4) 0.031(18) Uiso 1 1 d .
H3 H 0.882(4) 0.186(4) 0.209(3) 0.010(14) Uiso 1 1 d .
H4 H 0.702(5) 0.124(5) 0.136(4) 0.06(2) Uiso 1 1 d .
H5 H 0.572(4) 0.182(4) 0.096(3) 0.000(13) Uiso 1 1 d .
H6 H 0.443(5) 0.198(6) 0.039(5) 0.05(2) Uiso 1 1 d .
H7 H 0.403(4) 0.301(4) 0.051(4) 0.030(17) Uiso 1 1 d .
H8 H 0.329(4) 0.287(5) 0.181(4) 0.032(17) Uiso 1 1 d .
H9 H 0.346(6) 0.194(6) 0.151(5) 0.05(3) Uiso 1 1 d .
H10 H 0.211(5) 0.259(5) 0.068(4) 0.039(19) Uiso 1 1 d .
H11 H 0.240(5) 0.159(5) 0.012(5) 0.05(2) Uiso 1 1 d .
H12 H 0.131(4) 0.272(5) 0.199(4) 0.027(17) Uiso 1 1 d .
H13 H 0.179(4) 0.200(4) 0.220(3) 0.000(15) Uiso 1 1 d .
H14 H 0.065(5) 0.159(5) 0.199(4) 0.040(19) Uiso 1 1 d .
H15 H 0.209(6) 0.053(5) 0.126(5) 0.05(2) Uiso 1 1 d .
H16 H 0.105(5) 0.016(5) 0.107(4) 0.04(2) Uiso 1 1 d .
H17 H 0.185(4) -0.013(4) 0.019(3) 0.020(15) Uiso 1 1 d .
H18 H 0.001(4) 0.114(4) 0.075(3) 0.007(15) Uiso 1 1 d .
H19 H 0.064(4) 0.105(4) -0.010(4) 0.024(16) Uiso 1 1 d .
H20 H 0.232(5) 0.431(5) 0.083(4) 0.04(2) Uiso 1 1 d .
H21 H 0.084(5) 0.452(5) 0.151(4) 0.035(18) Uiso 1 1 d .
H22 H 0.104(5) 0.515(5) 0.297(4) 0.040(19) Uiso 1 1 d .
H23 H 0.273(5) 0.568(5) 0.370(4) 0.039(19) Uiso 1 1 d .
H24 H 0.443(4) 0.597(4) 0.373(4) 0.017(15) Uiso 1 1 d .
H25 H 0.656(4) 0.537(4) 0.355(3) 0.015(14) Uiso 1 1 d .
H26 H 0.602(4) 0.624(4) 0.395(3) 0.008(14) Uiso 1 1 d .
H27 H 0.729(4) 0.638(4) 0.270(4) 0.016(15) Uiso 1 1 d .
H28 H 0.662(5) 0.707(5) 0.300(4) 0.031(17) Uiso 1 1 d .
H29 H 0.740(4) 0.750(4) 0.434(4) 0.020(16) Uiso 1 1 d .
H30 H 0.816(4) 0.682(4) 0.409(3) 0.023(16) Uiso 1 1 d .
H31 H 0.960(4) 0.875(4) 0.455(3) 0.000(16) Uiso 1 1 d .
H32 H 0.881(6) 0.846(6) 0.507(5) 0.07(3) Uiso 1 1 d .
H33 H 0.963(5) 0.780(5) 0.466(4) 0.037(18) Uiso 1 1 d .
H34 H 0.771(5) 0.895(5) 0.412(4) 0.04(2) Uiso 1 1 d .
H35 H 0.863(5) 0.925(5) 0.368(4) 0.030(17) Uiso 1 1 d .
H36 H 0.764(4) 0.853(4) 0.317(4) 0.018(18) Uiso 1 1 d .
H37 H 0.962(5) 0.816(5) 0.303(4) 0.04(2) Uiso 1 1 d .
H38 H 0.860(6) 0.730(5) 0.241(5) 0.06(2) Uiso 1 1 d .
H39 H 0.771(4) 0.398(4) 0.042(4) 0.009(18) Uiso 1 1 d .
H40 H 0.931(5) 0.466(5) 0.066(4) 0.04(2) Uiso 1 1 d .
H41 H 0.995(7) 0.635(6) 0.092(5) 0.08(3) Uiso 1 1 d .
H42 H 0.847(4) 0.716(4) 0.105(3) 0.010(15) Uiso 1 1 d .
H43 H 0.677(5) 0.732(5) 0.118(4) 0.04(2) Uiso 1 1 d .
H44 H 0.540(4) 0.766(4) 0.103(3) 0.000(13) Uiso 1 1 d .
H45 H 0.445(5) 0.694(5) 0.027(5) 0.05(2) Uiso 1 1 d .
H46 H 0.455(5) 0.723(5) 0.209(5) 0.05(2) Uiso 1 1 d .
H47 H 0.384(4) 0.638(4) 0.134(3) 0.004(14) Uiso 1 1 d .
H53 H 0.194(5) 0.772(5) 0.298(4) 0.05(2) Uiso 1 1 d .
H54 H 0.183(8) 0.688(8) 0.204(7) 0.11(4) Uiso 1 1 d .
H55 H 0.278(4) 0.709(5) 0.272(4) 0.016(17) Uiso 1 1 d .
H56 H 0.196(5) 0.892(4) 0.252(4) 0.024(17) Uiso 1 1 d .
H57 H 0.268(6) 0.908(6) 0.180(5) 0.07(3) Uiso 1 1 d .
H58 H 0.192(4) 0.542(4) 0.550(3) 0.002(13) Uiso 1 1 d .
H59 H 0.036(6) 0.441(6) 0.518(5) 0.07(3) Uiso 1 1 d .
H60 H 0.040(4) 0.286(4) 0.412(4) 0.010(16) Uiso 1 1 d .
H61 H 0.179(4) 0.254(4) 0.377(3) 0.000(16) Uiso 1 1 d .
H62 H 0.355(4) 0.295(4) 0.358(3) 0.000(17) Uiso 1 1 d .
H63 H 0.503(5) 0.287(5) 0.311(4) 0.04(2) Uiso 1 1 d .
H64 H 0.589(4) 0.371(4) 0.355(3) 0.015(15) Uiso 1 1 d .
H65 H 0.515(5) 0.232(5) 0.416(4) 0.04(2) Uiso 1 1 d .
H66 H 0.590(5) 0.303(5) 0.466(4) 0.04(2) Uiso 1 1 d .
H67 H 0.628(4) 0.179(4) 0.320(4) 0.010(17) Uiso 1 1 d .
H68 H 0.709(4) 0.254(4) 0.363(3) 0.000(13) Uiso 1 1 d .
H69 H 0.759(7) 0.071(7) 0.312(6) 0.08(4) Uiso 1 1 d .
H70 H 0.829(4) 0.158(4) 0.368(3) 0.000(14) Uiso 1 1 d .
H71 H 0.801(5) 0.084(5) 0.387(4) 0.02(2) Uiso 1 1 d .
H72 H 0.581(5) 0.031(5) 0.348(4) 0.024(19) Uiso 1 1 d .
H73 H 0.550(6) 0.077(5) 0.430(4) 0.04(2) Uiso 1 1 d .
H74 H 0.628(6) 0.021(7) 0.431(5) 0.08(3) Uiso 1 1 d .
H75 H 0.665(6) 0.216(5) 0.530(5) 0.05(2) Uiso 1 1 d .
H76 H 0.741(4) 0.145(4) 0.514(3) 0.014(15) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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 0.006 '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 C1 C6 124.7(5) . .
O1 C1 C2 117.8(6) . .
C6 C1 C2 117.5(6) . .
C3 C2 C1 120.5(8) . .
C2 C3 C4 122.0(7) . .
C3 C4 C5 119.1(7) . .
C4 C5 C6 120.8(7) . .
C5 C6 C1 120.0(6) . .
C5 C6 C7 117.1(7) . .
C1 C6 C7 122.9(6) . .
N1 C7 C6 126.6(7) . .
N1 C8 C9 112.8(5) . .
C8 C9 C10 107.6(5) . .
N2 C10 C9 114.5(5) . .
N2 C13 Cl1 112.8(5) . .
O2 C14 C15 120.9(6) . .
O2 C14 C19 122.4(5) . .
C15 C14 C19 116.7(6) . .
C16 C15 C14 122.2(7) . .
C15 C16 C17 120.7(6) . .
C18 C17 C16 119.1(6) . .
C17 C18 C19 121.0(6) . .
C18 C19 C14 120.2(6) . .
C18 C19 C20 117.1(6) . .
C14 C19 C20 122.4(5) . .
N3 C20 C19 126.4(6) . .
N3 C21 C22 113.1(5) . .
C23 C22 C21 106.1(5) . .
C22 C23 N4 117.6(5) . .
N4 C26 Cl2 111.7(4) . .
O3 C27 C28 119.7(7) . .
O3 C27 C32 122.7(6) . .
C28 C27 C32 117.6(7) . .
C29 C28 C27 121.9(9) . .
C28 C29 C30 121.1(9) . .
C31 C30 C29 118.0(8) . .
C30 C31 C32 123.0(9) . .
C27 C32 C31 118.4(7) . .
C27 C32 C33 122.9(7) . .
C31 C32 C33 118.6(8) . .
N5 C33 C32 123.5(8) . .
N5 C34 C35 114.0(6) . .
C34 C35 C36 105.5(6) . .
N6 C36 C35 115.9(6) . .
N6 C39 Cl3 112.9(6) . .
O4 C40 C45 124.5(5) . .
O4 C40 C41 119.5(6) . .
C45 C40 C41 116.0(6) . .
C42 C41 C40 122.5(7) . .
C41 C42 C43 120.2(7) . .
C44 C43 C42 118.9(7) . .
C43 C44 C45 122.7(8) . .
C44 C45 C40 119.6(6) . .
C44 C45 C46 119.4(7) . .
C40 C45 C46 120.9(6) . .
N7 C46 C45 129.0(7) . .
N7 C47 C48 109.0(5) . .
C49 C48 C47 110.5(5) . .
C48 C49 N8 114.9(5) . .
N8 C52 Cl4 111.6(5) . .
C7 N1 C8 116.8(6) . .
C7 N1 Cu1 124.0(5) . .
C8 N1 Cu1 119.1(4) . .
C13 N2 C11 110.2(6) . .
C13 N2 C12 104.8(6) . .
C11 N2 C12 110.4(6) . .
C13 N2 C10 109.5(5) . .
C11 N2 C10 111.1(6) . .
C12 N2 C10 110.7(6) . .
C20 N3 C21 116.0(6) . .
C20 N3 Cu1 119.9(5) . .
C21 N3 Cu1 122.5(4) . .
C25 N4 C26 105.7(5) . .
C25 N4 C24 108.7(7) . .
C26 N4 C24 111.8(5) . .
C25 N4 C23 110.0(5) . .
C26 N4 C23 113.0(5) . .
C24 N4 C23 107.5(5) . .
C33 N5 C34 115.6(7) . .
C33 N5 Cu2 122.9(5) . .
C34 N5 Cu2 120.4(5) . .
C38 N6 C36 114.3(7) . .
C38 N6 C39 112.4(7) . .
C36 N6 C39 109.1(5) . .
C38 N6 C37 108.9(8) . .
C36 N6 C37 108.6(6) . .
C39 N6 C37 102.8(6) . .
C46 N7 C47 115.9(6) . .
C46 N7 Cu3 122.4(5) . .
C47 N7 Cu3 121.5(4) . .
C50 N8 C51 109.2(6) . .
C50 N8 C52 109.9(6) . .
C51 N8 C52 105.9(6) . .
C50 N8 C49 109.6(6) . .
C51 N8 C49 110.9(5) . .
C52 N8 C49 111.3(6) . .
C1 O1 Cu1 128.5(4) . .
C14 O2 Cu1 123.6(4) . .
C27 O3 Cu2 121.3(4) . .
C40 O4 Cu3 128.2(4) . .
O1 Cu1 O2 167.71(19) . .
O1 Cu1 N1 93.08(19) . .
O2 Cu1 N1 95.0(2) . .
O1 Cu1 N3 87.99(19) . .
O2 Cu1 N3 90.24(19) . .
N1 Cu1 N3 147.1(2) . .
O3 Cu2 O3 180.0(3) 2_665 .
O3 Cu2 N5 88.3(2) 2_665 2_665
O3 Cu2 N5 91.7(2) . 2_665
O3 Cu2 N5 91.7(2) 2_665 .
O3 Cu2 N5 88.3(2) . .
N5 Cu2 N5 180.0(4) 2_665 .
O4 Cu3 O4 180.0(3) . 2_666
O4 Cu3 N7 88.22(19) . 2_666
O4 Cu3 N7 91.78(19) 2_666 2_666
O4 Cu3 N7 91.78(19) . .
O4 Cu3 N7 88.22(19) 2_666 .
N7 Cu3 N7 180.0(2) 2_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.303(7) .
C1 C6 1.417(9) .
C1 C2 1.430(9) .
C2 C3 1.378(10) .
C3 C4 1.378(10) .
C4 C5 1.389(10) .
C5 C6 1.414(9) .
C6 C7 1.440(9) .
C7 N1 1.294(8) .
C8 N1 1.477(8) .
C8 C9 1.514(9) .
C9 C10 1.519(9) .
C10 N2 1.518(8) .
C11 N2 1.501(9) .
C12 N2 1.508(10) .
C13 N2 1.496(8) .
C13 Cl1 1.767(8) .
C14 O2 1.313(7) .
C14 C15 1.401(9) .
C14 C19 1.423(9) .
C15 C16 1.375(9) .
C16 C17 1.383(10) .
C17 C18 1.380(9) .
C18 C19 1.400(9) .
C19 C20 1.455(8) .
C20 N3 1.278(8) .
C21 N3 1.475(8) .
C21 C22 1.520(9) .
C22 C23 1.502(9) .
C23 N4 1.514(8) .
C24 N4 1.501(9) .
C25 N4 1.498(9) .
C26 N4 1.500(8) .
C26 Cl2 1.768(7) .
C27 O3 1.321(8) .
C27 C28 1.400(10) .
C27 C32 1.406(10) .
C28 C29 1.368(11) .
C29 C30 1.385(12) .
C30 C31 1.358(11) .
C31 C32 1.412(10) .
C32 C33 1.440(10) .
C33 N5 1.307(9) .
C34 N5 1.463(9) .
C34 C35 1.515(10) .
C35 C36 1.533(10) .
C36 N6 1.486(9) .
C37 N6 1.525(11) .
C38 N6 1.470(11) .
C39 N6 1.492(9) .
C39 Cl3 1.727(8) .
C40 O4 1.302(7) .
C40 C45 1.413(9) .
C40 C41 1.428(8) .
C41 C42 1.361(9) .
C42 C43 1.400(11) .
C43 C44 1.346(10) .
C44 C45 1.407(10) .
C45 C46 1.436(9) .
C46 N7 1.285(9) .
C47 N7 1.471(8) .
C47 C48 1.524(9) .
C48 C49 1.514(9) .
C49 N8 1.525(8) .
C50 N8 1.494(9) .
C51 N8 1.500(9) .
C52 N8 1.519(9) .
C52 Cl4 1.761(8) .
N1 Cu1 2.000(6) .
N3 Cu1 2.012(6) .
N5 Cu2 2.002(6) .
N7 Cu3 2.003(5) .
O1 Cu1 1.899(4) .
O2 Cu1 1.935(4) .
O3 Cu2 1.928(4) .
O4 Cu3 1.904(4) .
Cu2 O3 1.928(4) 2_665
Cu2 N5 2.002(6) 2_665
Cu3 O4 1.904(4) 2_666
Cu3 N7 2.003(5) 2_666
