#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/93/2219390.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2219390
loop_
_publ_author_name
'Park, Byeong Kwon'
'Jang, Kyung-Hwan'
'Kim, Pan-Gi'
'Kim, Cheal'
'Kim, Youngmee'
_publ_section_title
;
 Tetra-μ-benzoato-bis[(3-methylquinoline)copper(II)](Cu{---Cu})
;
_journal_coeditor_code           LH2672
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1141
_journal_paper_doi               10.1107/S1600536808024859
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu2 (C7 H5 O2)4 (C10 H9 N)2]'
_chemical_formula_sum            'C48 H38 Cu2 N2 O8'
_chemical_formula_weight         897.88
_chemical_name_systematic
;
Tetra-μ-benzoato-bis[(3-methylquinoline)copper(II)](cu---Cu)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.45
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   29.988(4)
_cell_length_b                   16.6892(19)
_cell_length_c                   12.5972(15)
_cell_measurement_reflns_used    2186
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.74
_cell_measurement_theta_min      2.38
_cell_volume                     6304.4(13)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART-CCD'
_diffrn_measurement_method       'φ and ω'
_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  0.0797
_diffrn_reflns_av_sigmaI/netI    0.1249
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            35088
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_T_max  0.948
_exptl_absorpt_correction_T_min  0.918
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2772
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.337
_refine_diff_density_min         -0.384
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     814
_refine_ls_number_reflns         12366
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.1269
_refine_ls_R_factor_gt           0.0538
_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)+(0.0215P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1044
_refine_ls_wR_factor_ref         0.1247
_reflns_number_gt                6309
_reflns_number_total             12366
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh2672.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2219390
_cod_database_fobs_code          2219390
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Cu Cu1 0.140873(17) 0.48955(3) 1.08169(4) 0.03683(15) Uani d . 1
Cu Cu2 0.195328(17) 0.51147(3) 0.91752(4) 0.03964(15) Uani d . 1
Cu Cu3 0.472853(17) 0.48903(3) 0.41692(4) 0.03757(15) Uani d . 1
O O11 0.10706(10) 0.41783(15) 0.9886(2) 0.0492(8) Uani d . 1
O O12 0.15067(11) 0.44098(17) 0.8491(2) 0.0557(9) Uani d . 1
C C11 0.11946(15) 0.4046(3) 0.8941(4) 0.0422(11) Uani d . 1
C C12 0.09454(15) 0.3426(2) 0.8329(3) 0.0402(11) Uani d . 1
C C13 0.05386(16) 0.3141(3) 0.8657(3) 0.0529(13) Uani d . 1
H H13 0.0416 0.3328 0.9286 0.063 Uiso calc R 1
C C14 0.03133(19) 0.2582(3) 0.8059(4) 0.0678(15) Uani d . 1
H H14 0.0033 0.2407 0.8271 0.081 Uiso calc R 1
C C15 0.0498(2) 0.2278(3) 0.7153(4) 0.0686(16) Uani d . 1
H H15 0.0345 0.1896 0.6752 0.082 Uiso calc R 1
C C16 0.0906(2) 0.2542(3) 0.6844(4) 0.0636(16) Uani d . 1
H H16 0.1037 0.2328 0.6239 0.088 Uiso calc R 1
C C17 0.11279(17) 0.3123(3) 0.7420(4) 0.0609(14) Uani d . 1
H H17 0.1403 0.3311 0.7190 0.073 Uiso calc R 1
O O21 0.18305(10) 0.39938(16) 1.1068(2) 0.0500(8) Uani d . 1
O O22 0.22602(10) 0.41433(16) 0.9634(2) 0.0518(8) Uani d . 1
C C21 0.21187(15) 0.3754(2) 1.0430(4) 0.0430(11) Uani d . 1
C C22 0.23111(14) 0.2939(2) 1.0597(3) 0.0430(11) Uani d . 1
C C23 0.22233(15) 0.2506(3) 1.1509(4) 0.0498(12) Uani d . 1
H H23 0.2056 0.2738 1.2047 0.060 Uiso calc R 1
C C24 0.23802(17) 0.1737(3) 1.1631(4) 0.0602(14) Uani d . 1
H H24 0.2320 0.1454 1.2249 0.072 Uiso calc R 1
C C25 0.26228(18) 0.1389(3) 1.0851(5) 0.0682(15) Uani d . 1
H H25 0.2726 0.0868 1.0936 0.082 Uiso calc R 1
C C26 0.27169(18) 0.1805(3) 0.9935(4) 0.0632(16) Uani d . 1
H H26 0.2883 0.1567 0.9401 0.088 Uiso calc R 1
C C27 0.25611(17) 0.2581(3) 0.9816(4) 0.0599(14) Uani d . 1
H H27 0.2626 0.2864 0.9200 0.072 Uiso calc R 1
O O31 0.18253(10) 0.56428(17) 1.1485(2) 0.0508(8) Uani d . 1
O O32 0.23127(10) 0.57679(16) 1.0156(2) 0.0530(8) Uani d . 1
C C31 0.21740(16) 0.5932(2) 1.1076(4) 0.0434(11) Uani d . 1
C C32 0.24312(16) 0.6521(2) 1.1726(3) 0.0437(11) Uani d . 1
C C33 0.22318(17) 0.6889(3) 1.2578(4) 0.0573(13) Uani d . 1
H H33 0.1938 0.6767 1.2747 0.069 Uiso calc R 1
C C34 0.2467(2) 0.7440(3) 1.3184(4) 0.0667(15) Uani d . 1
H H34 0.2328 0.7703 1.3742 0.080 Uiso calc R 1
C C35 0.2909(2) 0.7598(3) 1.2959(4) 0.0614(16) Uani d . 1
H H35 0.3070 0.7951 1.3384 0.086 Uiso calc R 1
C C36 0.31071(19) 0.7237(3) 1.2116(5) 0.0641(18) Uani d . 1
H H36 0.3403 0.7349 1.1960 0.101 Uiso calc R 1
C C37 0.28705(18) 0.6705(3) 1.1492(4) 0.0683(15) Uani d . 1
H H37 0.3006 0.6468 1.0910 0.082 Uiso calc R 1
O O41 0.10742(10) 0.58178(15) 1.0264(2) 0.0494(8) Uani d . 1
O O42 0.15600(11) 0.60454(16) 0.8965(2) 0.0542(8) Uani d . 1
C C41 0.12160(16) 0.6212(2) 0.9483(3) 0.0429(11) Uani d . 1
C C42 0.09650(15) 0.6947(2) 0.9168(3) 0.0431(11) Uani d . 1
C C43 0.06066(17) 0.7200(3) 0.9734(4) 0.0592(14) Uani d . 1
H H43 0.0518 0.6910 1.0326 0.071 Uiso calc R 1
C C44 0.03721(19) 0.7880(3) 0.9447(4) 0.0686(17) Uani d . 1
H H44 0.0125 0.8041 0.9833 0.094 Uiso calc R 1
C C45 0.0510(2) 0.8319(3) 0.8577(5) 0.0684(18) Uani d . 1
H H45 0.0358 0.8782 0.8383 0.094 Uiso calc R 1
C C46 0.08665(19) 0.8073(3) 0.8008(4) 0.0665(15) Uani d . 1
H H46 0.0959 0.8370 0.7425 0.080 Uiso calc R 1
C C47 0.10937(17) 0.7380(3) 0.8291(4) 0.0575(13) Uani d . 1
H H47 0.1334 0.7207 0.7888 0.069 Uiso calc R 1
O O51 0.43770(10) 0.42328(16) 0.5140(2) 0.0498(8) Uani d . 1
O O52 0.51619(11) 0.55942(17) 0.3479(2) 0.0530(8) Uani d . 1
C C51 0.45058(15) 0.4085(2) 0.6069(4) 0.0395(11) Uani d . 1
C C52 0.42434(15) 0.3491(2) 0.6706(3) 0.0409(11) Uani d . 1
C C53 0.38141(18) 0.3293(3) 0.6424(4) 0.0675(15) Uani d . 1
H H53 0.3683 0.3524 0.5826 0.081 Uiso calc R 1
C C54 0.35739(19) 0.2746(3) 0.7030(5) 0.0642(18) Uani d . 1
H H54 0.3282 0.2617 0.6844 0.101 Uiso calc R 1
C C55 0.3771(2) 0.2404(3) 0.7899(5) 0.0635(17) Uani d . 1
H H55 0.3609 0.2048 0.8315 0.088 Uiso calc R 1
C C56 0.4198(2) 0.2578(3) 0.8159(4) 0.0646(17) Uani d . 1
H H56 0.4335 0.2324 0.8734 0.089 Uiso calc R 1
C C57 0.44345(17) 0.3137(3) 0.7565(4) 0.0621(14) Uani d . 1
H H57 0.4725 0.3269 0.7760 0.075 Uiso calc R 1
O O61 0.51297(11) 0.39581(16) 0.3964(2) 0.0530(8) Uani d . 1
O O62 0.44192(10) 0.58609(16) 0.4637(2) 0.0515(8) Uani d . 1
C C61 0.54343(15) 0.3740(2) 0.4592(4) 0.0415(11) Uani d . 1
C C62 0.56345(14) 0.2932(2) 0.4413(4) 0.0432(11) Uani d . 1
C C63 0.55385(16) 0.2511(3) 0.3497(4) 0.0548(13) Uani d . 1
H H63 0.5362 0.2744 0.2970 0.066 Uiso calc R 1
C C64 0.57037(17) 0.1745(3) 0.3357(4) 0.0638(14) Uani d . 1
H H64 0.5644 0.1467 0.2732 0.077 Uiso calc R 1
C C65 0.59534(19) 0.1400(3) 0.4133(5) 0.0642(17) Uani d . 1
H H65 0.6060 0.0881 0.4043 0.089 Uiso calc R 1
C C66 0.60512(18) 0.1812(3) 0.5057(5) 0.0640(16) Uani d . 1
H H66 0.6222 0.1572 0.5587 0.089 Uiso calc R 1
C C67 0.58936(16) 0.2582(3) 0.5191(4) 0.0581(13) Uani d . 1
H H67 0.5963 0.2865 0.5806 0.070 Uiso calc R 1
N N71 0.10380(13) 0.46908(19) 1.2285(3) 0.0431(9) Uani d . 1
C C71 0.12994(17) 0.4504(3) 1.3107(3) 0.0545(13) Uani d . 1
H H71 0.1606 0.4505 1.3004 0.065 Uiso calc R 1
C C72 0.1144(2) 0.4307(3) 1.4107(4) 0.0668(15) Uani d . 1
C C73 0.0702(2) 0.4327(3) 1.4260(4) 0.0616(14) Uani d . 1
H H73 0.0592 0.4214 1.4932 0.074 Uiso calc R 1
C C74 0.03990(18) 0.4512(2) 1.3439(4) 0.0508(12) Uani d . 1
C C75 -0.0065(2) 0.4526(3) 1.3547(5) 0.0602(16) Uani d . 1
H H75 -0.0191 0.4424 1.4205 0.084 Uiso calc R 1
C C76 -0.0333(2) 0.4688(3) 1.2691(5) 0.0686(17) Uani d . 1
H H76 -0.0641 0.4682 1.2766 0.094 Uiso calc R 1
C C77 -0.01478(18) 0.4861(3) 1.1709(4) 0.0660(14) Uani d . 1
H H77 -0.0332 0.4974 1.1131 0.079 Uiso calc R 1
C C78 0.03068(16) 0.4866(2) 1.1591(4) 0.0518(12) Uani d . 1
H H78 0.0428 0.4989 1.0933 0.062 Uiso calc R 1
C C79 0.05883(16) 0.4691(2) 1.2434(3) 0.0422(11) Uani d . 1
C C710 0.1480(2) 0.4085(4) 1.4960(4) 0.0720(3) Uani d . 1
H H71A 0.1378 0.4275 1.5635 0.180 Uiso calc R 1
H H71B 0.1763 0.4326 1.4802 0.180 Uiso calc R 1
H H71C 0.1513 0.3513 1.4985 0.180 Uiso calc R 1
N N81 0.22867(14) 0.5391(2) 0.7666(3) 0.0496(10) Uani d . 1
C C81 0.2004(2) 0.5688(3) 0.6934(4) 0.0684(16) Uani d . 1
H H81 0.1701 0.5656 0.7076 0.082 Uiso calc R 1
C C82 0.2129(2) 0.6040(3) 0.5976(4) 0.0613(18) Uani d . 1
C C83 0.2566(2) 0.6056(3) 0.5763(4) 0.0699(18) Uani d . 1
H H83 0.2661 0.6280 0.5128 0.096 Uiso calc R 1
C C84 0.2888(2) 0.5740(3) 0.6477(4) 0.0622(15) Uani d . 1
C C85 0.3341(3) 0.5753(3) 0.6302(6) 0.063(2) Uani d . 1
H H85 0.3450 0.5970 0.5676 0.111 Uiso calc R 1
C C86 0.3636(2) 0.5446(4) 0.7051(7) 0.0701(2) Uani d . 1
H H86 0.3941 0.5460 0.6922 0.121 Uiso calc R 1
C C87 0.3484(2) 0.5122(3) 0.7975(5) 0.0686(19) Uani d . 1
H H87 0.3683 0.4909 0.8469 0.106 Uiso calc R 1
C C88 0.3032(2) 0.5113(3) 0.8172(5) 0.0672(15) Uani d . 1
H H88 0.2931 0.4897 0.8807 0.081 Uiso calc R 1
C C89 0.27255(19) 0.5416(3) 0.7454(4) 0.0560(13) Uani d . 1
C C810 0.1772(2) 0.6378(4) 0.5262(5) 0.0731(3) Uani d . 1
H H81A 0.1760 0.6950 0.5344 0.196 Uiso calc R 1
H H81B 0.1489 0.6152 0.5450 0.196 Uiso calc R 1
H H81C 0.1837 0.6249 0.4538 0.196 Uiso calc R 1
N N91 0.43539(14) 0.46388(19) 0.2708(3) 0.0485(10) Uani d . 1
C C91 0.46191(19) 0.4377(3) 0.1929(4) 0.0633(14) Uani d . 1
H H91 0.4925 0.4395 0.2047 0.076 Uiso calc R 1
C C92 0.4469(2) 0.4079(3) 0.0954(4) 0.0673(17) Uani d . 1
C C93 0.4021(2) 0.4055(3) 0.0797(4) 0.0669(17) Uani d . 1
H H93 0.3908 0.3853 0.0162 0.092 Uiso calc R 1
C C94 0.37281(19) 0.4328(3) 0.1566(4) 0.0547(13) Uani d . 1
C C95 0.3267(2) 0.4328(3) 0.1451(5) 0.0678(17) Uani d . 1
H H95 0.3142 0.4134 0.0823 0.093 Uiso calc R 1
C C96 0.2988(2) 0.4602(3) 0.2227(6) 0.0642(19) Uani d . 1
H H96 0.2681 0.4600 0.2119 0.101 Uiso calc R 1
C C97 0.3167(2) 0.4883(3) 0.3172(5) 0.0675(17) Uani d . 1
H H97 0.2980 0.5066 0.3705 0.093 Uiso calc R 1
C C98 0.36280(17) 0.4889(3) 0.3322(4) 0.0584(13) Uani d . 1
H H98 0.3748 0.5077 0.3958 0.070 Uiso calc R 1
C C99 0.39083(17) 0.4620(2) 0.2538(4) 0.0482(12) Uani d . 1
C C910 0.4806(2) 0.3794(5) 0.0176(5) 0.0649(3) Uani d . 1
H H91A 0.4849 0.3227 0.0258 0.224 Uiso calc R 1
H H91B 0.5084 0.4066 0.0300 0.224 Uiso calc R 1
H H91C 0.4703 0.3906 -0.0532 0.224 Uiso calc R 1
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'
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O31 Cu1 O11 . . 167.94(12)
O31 Cu1 O41 . . 88.60(12)
O11 Cu1 O41 . . 90.36(12)
O31 Cu1 O21 . . 90.61(13)
O11 Cu1 O21 . . 87.62(12)
O41 Cu1 O21 . . 166.54(12)
O31 Cu1 N71 . . 93.60(12)
O11 Cu1 N71 . . 98.43(13)
O41 Cu1 N71 . . 99.22(13)
O21 Cu1 N71 . . 94.24(12)
O31 Cu1 Cu2 . . 81.57(9)
O11 Cu1 Cu2 . . 86.37(9)
O41 Cu1 Cu2 . . 86.09(9)
O21 Cu1 Cu2 . . 80.50(8)
N71 Cu1 Cu2 . . 172.77(10)
O22 Cu2 O32 . . 91.12(13)
O22 Cu2 O42 . . 167.88(12)
O32 Cu2 O42 . . 88.38(13)
O22 Cu2 O12 . . 87.20(13)
O32 Cu2 O12 . . 166.44(12)
O42 Cu2 O12 . . 90.45(13)
O22 Cu2 N81 . . 102.32(13)
O32 Cu2 N81 . . 100.15(13)
O42 Cu2 N81 . . 89.69(13)
O12 Cu2 N81 . . 93.36(13)
O22 Cu2 Cu1 . . 86.93(9)
O32 Cu2 Cu1 . . 85.69(9)
O42 Cu2 Cu1 . . 80.95(9)
O12 Cu2 Cu1 . . 80.78(9)
N81 Cu2 Cu1 . . 168.86(12)
O51 Cu3 O62 . . 90.97(12)
O51 Cu3 O52 . . 167.23(12)
O62 Cu3 O52 . . 87.43(13)
O51 Cu3 O61 . . 88.38(13)
O62 Cu3 O61 . . 167.38(12)
O52 Cu3 O61 . . 90.43(13)
O51 Cu3 N91 . . 98.19(13)
O62 Cu3 N91 . . 99.82(13)
O52 Cu3 N91 . . 94.57(13)
O61 Cu3 N91 . . 92.75(13)
O51 Cu3 Cu3 . 3_666 85.14(9)
O62 Cu3 Cu3 . 3_666 86.44(9)
O52 Cu3 Cu3 . 3_666 82.12(9)
O61 Cu3 Cu3 . 3_666 80.95(9)
N91 Cu3 Cu3 . 3_666 172.82(11)
C11 O11 Cu1 . . 121.0(3)
C11 O12 Cu2 . . 126.6(3)
O12 C11 O11 . . 124.4(4)
O12 C11 C12 . . 118.4(4)
O11 C11 C12 . . 117.2(4)
C17 C12 C13 . . 119.0(4)
C17 C12 C11 . . 119.1(4)
C13 C12 C11 . . 121.8(4)
C14 C13 C12 . . 120.2(4)
C14 C13 H13 . . 119.9
C12 C13 H13 . . 119.9
C15 C14 C13 . . 120.6(5)
C15 C14 H14 . . 119.7
C13 C14 H14 . . 119.7
C16 C15 C14 . . 119.3(5)
C16 C15 H15 . . 120.4
C14 C15 H15 . . 120.4
C15 C16 C17 . . 120.5(5)
C15 C16 H16 . . 119.7
C17 C16 H16 . . 119.7
C12 C17 C16 . . 120.4(5)
C12 C17 H17 . . 119.8
C16 C17 H17 . . 119.8
C21 O21 Cu1 . . 125.6(3)
C21 O22 Cu2 . . 120.0(3)
O21 C21 O22 . . 125.5(4)
O21 C21 C22 . . 118.0(4)
O22 C21 C22 . . 116.5(4)
C27 C22 C23 . . 118.3(4)
C27 C22 C21 . . 120.5(4)
C23 C22 C21 . . 121.1(4)
C24 C23 C22 . . 120.8(4)
C24 C23 H23 . . 119.6
C22 C23 H23 . . 119.6
C25 C24 C23 . . 120.2(5)
C25 C24 H24 . . 119.9
C23 C24 H24 . . 119.9
C24 C25 C26 . . 120.4(5)
C24 C25 H25 . . 119.8
C26 C25 H25 . . 119.8
C25 C26 C27 . . 119.4(5)
C25 C26 H26 . . 120.3
C27 C26 H26 . . 120.3
C22 C27 C26 . . 120.9(4)
C22 C27 H27 . . 119.6
C26 C27 H27 . . 119.6
C31 O31 Cu1 . . 126.6(3)
C31 O32 Cu2 . . 120.9(3)
O31 C31 O32 . . 124.7(4)
O31 C31 C32 . . 117.0(4)
O32 C31 C32 . . 118.3(4)
C33 C32 C37 . . 119.1(4)
C33 C32 C31 . . 119.7(5)
C37 C32 C31 . . 121.2(4)
C32 C33 C34 . . 120.2(5)
C32 C33 H33 . . 119.9
C34 C33 H33 . . 119.9
C35 C34 C33 . . 119.9(5)
C35 C34 H34 . . 120.0
C33 C34 H34 . . 120.0
C36 C35 C34 . . 120.0(5)
C36 C35 H35 . . 120.0
C34 C35 H35 . . 120.0
C35 C36 C37 . . 120.2(6)
C35 C36 H36 . . 119.9
C37 C36 H36 . . 119.9
C36 C37 C32 . . 120.5(5)
C36 C37 H37 . . 119.8
C32 C37 H37 . . 119.8
C41 O41 Cu1 . . 120.8(3)
C41 O42 Cu2 . . 126.8(3)
O42 C41 O41 . . 125.0(4)
O42 C41 C42 . . 117.3(4)
O41 C41 C42 . . 117.6(4)
C43 C42 C47 . . 119.0(4)
C43 C42 C41 . . 121.0(4)
C47 C42 C41 . . 120.1(4)
C42 C43 C44 . . 121.3(5)
C42 C43 H43 . . 119.3
C44 C43 H43 . . 119.3
C43 C44 C45 . . 119.2(5)
C43 C44 H44 . . 120.4
C45 C44 H44 . . 120.4
C46 C45 C44 . . 120.1(5)
C46 C45 H45 . . 120.0
C44 C45 H45 . . 120.0
C45 C46 C47 . . 120.2(5)
C45 C46 H46 . . 119.9
C47 C46 H46 . . 119.9
C42 C47 C46 . . 120.2(5)
C42 C47 H47 . . 119.9
C46 C47 H47 . . 119.9
C51 O51 Cu3 . . 122.0(3)
C51 O52 Cu3 3_666 . 125.3(3)
O51 C51 O52 . 3_666 125.0(4)
O51 C51 C52 . . 118.0(4)
O52 C51 C52 3_666 . 117.0(4)
C57 C52 C53 . . 119.4(4)
C57 C52 C51 . . 119.6(4)
C53 C52 C51 . . 121.0(4)
C52 C53 C54 . . 120.2(5)
C52 C53 H53 . . 119.9
C54 C53 H53 . . 119.9
C55 C54 C53 . . 119.5(5)
C55 C54 H54 . . 120.3
C53 C54 H54 . . 120.3
C56 C55 C54 . . 120.5(5)
C56 C55 H55 . . 119.8
C54 C55 H55 . . 119.8
C55 C56 C57 . . 119.9(5)
C55 C56 H56 . . 120.1
C57 C56 H56 . . 120.1
C52 C57 C56 . . 120.5(5)
C52 C57 H57 . . 119.8
C56 C57 H57 . . 119.8
C61 O61 Cu3 . . 125.7(3)
C61 O62 Cu3 3_666 . 120.5(3)
O62 C61 O61 3_666 . 125.5(4)
O62 C61 C62 3_666 . 117.2(4)
O61 C61 C62 . . 117.3(4)
C67 C62 C63 . . 119.6(4)
C67 C62 C61 . . 120.1(4)
C63 C62 C61 . . 120.2(4)
C62 C63 C64 . . 120.3(5)
C62 C63 H63 . . 119.9
C64 C63 H63 . . 119.9
C65 C64 C63 . . 119.8(5)
C65 C64 H64 . . 120.1
C63 C64 H64 . . 120.1
C64 C65 C66 . . 120.6(5)
C64 C65 H65 . . 119.7
C66 C65 H65 . . 119.7
C67 C66 C65 . . 119.7(5)
C67 C66 H66 . . 120.1
C65 C66 H66 . . 120.1
C62 C67 C66 . . 120.0(5)
C62 C67 H67 . . 120.0
C66 C67 H67 . . 120.0
C71 N71 C79 . . 118.0(4)
C71 N71 Cu1 . . 113.2(3)
C79 N71 Cu1 . . 128.7(3)
N71 C71 C72 . . 124.3(5)
N71 C71 H71 . . 117.9
C72 C71 H71 . . 117.9
C73 C72 C71 . . 117.6(5)
C73 C72 C710 . . 123.8(5)
C71 C72 C710 . . 118.6(5)
C72 C73 C74 . . 122.2(5)
C72 C73 H73 . . 118.9
C74 C73 H73 . . 118.9
C75 C74 C73 . . 124.7(5)
C75 C74 C79 . . 119.2(5)
C73 C74 C79 . . 116.2(5)
C76 C75 C74 . . 120.4(5)
C76 C75 H75 . . 119.8
C74 C75 H75 . . 119.8
C75 C76 C77 . . 120.4(6)
C75 C76 H76 . . 119.8
C77 C76 H76 . . 119.8
C78 C77 C76 . . 120.1(5)
C78 C77 H77 . . 120.0
C76 C77 H77 . . 120.0
C77 C78 C79 . . 121.1(5)
C77 C78 H78 . . 119.4
C79 C78 H78 . . 119.4
N71 C79 C78 . . 119.5(4)
N71 C79 C74 . . 121.6(4)
C78 C79 C74 . . 118.8(5)
C72 C710 H71A . . 109.5
C72 C710 H71B . . 109.5
H71A C710 H71B . . 109.5
C72 C710 H71C . . 109.5
H71A C710 H71C . . 109.5
H71B C710 H71C . . 109.5
C81 N81 C89 . . 117.7(4)
C81 N81 Cu2 . . 112.5(3)
C89 N81 Cu2 . . 129.0(3)
N81 C81 C82 . . 125.2(6)
N81 C81 H81 . . 117.4
C82 C81 H81 . . 117.4
C83 C82 C81 . . 116.8(6)
C83 C82 C810 . . 124.5(6)
C81 C82 C810 . . 118.6(6)
C82 C83 C84 . . 121.9(5)
C82 C83 H83 . . 119.1
C84 C83 H83 . . 119.1
C85 C84 C83 . . 124.1(6)
C85 C84 C89 . . 119.0(6)
C83 C84 C89 . . 116.8(5)
C84 C85 C86 . . 120.7(6)
C84 C85 H85 . . 119.7
C86 C85 H85 . . 119.7
C87 C86 C85 . . 120.6(7)
C87 C86 H86 . . 119.7
C85 C86 H86 . . 119.7
C86 C87 C88 . . 119.6(7)
C86 C87 H87 . . 120.2
C88 C87 H87 . . 120.2
C87 C88 C89 . . 121.8(5)
C87 C88 H88 . . 119.1
C89 C88 H88 . . 119.1
N81 C89 C88 . . 120.3(5)
N81 C89 C84 . . 121.5(5)
C88 C89 C84 . . 118.2(5)
C82 C810 H81A . . 109.5
C82 C810 H81B . . 109.5
H81A C810 H81B . . 109.5
C82 C810 H81C . . 109.5
H81A C810 H81C . . 109.5
H81B C810 H81C . . 109.5
C91 N91 C99 . . 117.9(4)
C91 N91 Cu3 . . 112.0(3)
C99 N91 Cu3 . . 129.6(3)
N91 C91 C92 . . 124.8(5)
N91 C91 H91 . . 117.6
C92 C91 H91 . . 117.6
C93 C92 C91 . . 116.8(5)
C93 C92 C910 . . 124.8(6)
C91 C92 C910 . . 118.4(6)
C92 C93 C94 . . 121.3(5)
C92 C93 H93 . . 119.4
C94 C93 H93 . . 119.4
C93 C94 C95 . . 124.1(5)
C93 C94 C99 . . 118.4(5)
C95 C94 C99 . . 117.5(5)
C96 C95 C94 . . 122.5(6)
C96 C95 H95 . . 118.8
C94 C95 H95 . . 118.8
C95 C96 C97 . . 119.6(6)
C95 C96 H96 . . 120.2
C97 C96 H96 . . 120.2
C96 C97 C98 . . 119.7(6)
C96 C97 H97 . . 120.1
C98 C97 H97 . . 120.1
C99 C98 C97 . . 120.7(5)
C99 C98 H98 . . 119.7
C97 C98 H98 . . 119.7
N91 C99 C98 . . 119.2(5)
N91 C99 C94 . . 120.9(5)
C98 C99 C94 . . 120.0(5)
C92 C910 H91A . . 109.5
C92 C910 H91B . . 109.5
H91A C910 H91B . . 109.5
C92 C910 H91C . . 109.5
H91A C910 H91C . . 109.5
H91B C910 H91C . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Cu1 O31 . 1.952(3)
Cu1 O11 . 1.954(3)
Cu1 O41 . 1.962(3)
Cu1 O21 . 1.990(3)
Cu1 N71 . 2.192(3)
Cu1 Cu2 . 2.6703(7)
Cu2 O22 . 1.950(3)
Cu2 O32 . 1.963(3)
Cu2 O42 . 1.967(3)
Cu2 O12 . 1.975(3)
Cu2 N81 . 2.203(3)
Cu3 O51 . 1.957(3)
Cu3 O62 . 1.960(3)
Cu3 O52 . 1.960(3)
Cu3 O61 . 1.985(3)
Cu3 N91 . 2.190(4)
Cu3 Cu3 3_666 2.6671(10)
O11 C11 . 1.270(5)
O12 C11 . 1.254(5)
C11 C12 . 1.488(6)
C12 C17 . 1.370(6)
C12 C13 . 1.376(6)
C13 C14 . 1.375(6)
C13 H13 . 0.9300
C14 C15 . 1.369(7)
C14 H14 . 0.9300
C15 C16 . 1.362(7)
C15 H15 . 0.9300
C16 C17 . 1.380(6)
C16 H16 . 0.9300
C17 H17 . 0.9300
O21 C21 . 1.250(5)
O22 C21 . 1.270(5)
C21 C22 . 1.492(5)
C22 C27 . 1.378(6)
C22 C23 . 1.385(5)
C23 C24 . 1.374(6)
C23 H23 . 0.9300
C24 C25 . 1.357(6)
C24 H24 . 0.9300
C25 C26 . 1.378(6)
C25 H25 . 0.9300
C26 C27 . 1.384(6)
C26 H26 . 0.9300
C27 H27 . 0.9300
O31 C31 . 1.265(5)
O32 C31 . 1.265(5)
C31 C32 . 1.491(6)
C32 C33 . 1.376(6)
C32 C37 . 1.387(6)
C33 C34 . 1.386(6)
C33 H33 . 0.9300
C34 C35 . 1.381(7)
C34 H34 . 0.9300
C35 C36 . 1.363(7)
C35 H35 . 0.9300
C36 C37 . 1.378(6)
C36 H36 . 0.9300
C37 H37 . 0.9300
O41 C41 . 1.260(5)
O42 C41 . 1.256(5)
C41 C42 . 1.492(6)
C42 C43 . 1.362(6)
C42 C47 . 1.378(5)
C43 C44 . 1.382(6)
C43 H43 . 0.9300
C44 C45 . 1.383(7)
C44 H44 . 0.9300
C45 C46 . 1.356(7)
C45 H45 . 0.9300
C46 C47 . 1.388(6)
C46 H46 . 0.9300
C47 H47 . 0.9300
O51 C51 . 1.255(5)
O52 C51 3_666 1.262(5)
C51 O52 3_666 1.262(5)
C51 C52 . 1.502(6)
C52 C57 . 1.356(6)
C52 C53 . 1.373(6)
C53 C54 . 1.393(6)
C53 H53 . 0.9300
C54 C55 . 1.365(7)
C54 H54 . 0.9300
C55 C56 . 1.354(7)
C55 H55 . 0.9300
C56 C57 . 1.393(6)
C56 H56 . 0.9300
C57 H57 . 0.9300
O61 C61 . 1.257(5)
O62 C61 3_666 1.255(5)
C61 O62 3_666 1.255(5)
C61 C62 . 1.494(5)
C62 C67 . 1.375(6)
C62 C63 . 1.380(6)
C63 C64 . 1.384(6)
C63 H63 . 0.9300
C64 C65 . 1.355(7)
C64 H64 . 0.9300
C65 C66 . 1.383(7)
C65 H65 . 0.9300
C66 C67 . 1.380(6)
C66 H66 . 0.9300
C67 H67 . 0.9300
N71 C71 . 1.331(5)
N71 C79 . 1.363(5)
C71 C72 . 1.385(6)
C71 H71 . 0.9300
C72 C73 . 1.343(7)
C72 C710 . 1.513(7)
C73 C74 . 1.406(6)
C73 H73 . 0.9300
C74 C75 . 1.399(7)
C74 C79 . 1.423(6)
C75 C76 . 1.367(7)
C75 H75 . 0.9300
C76 C77 . 1.391(7)
C76 H76 . 0.9300
C77 C78 . 1.373(6)
C77 H77 . 0.9300
C78 C79 . 1.382(6)
C78 H78 . 0.9300
C710 H71A . 0.9600
C710 H71B . 0.9600
C710 H71C . 0.9600
N81 C81 . 1.342(6)
N81 C89 . 1.346(6)
C81 C82 . 1.397(6)
C81 H81 . 0.9300
C82 C83 . 1.339(8)
C82 C810 . 1.505(8)
C83 C84 . 1.416(7)
C83 H83 . 0.9300
C84 C85 . 1.379(8)
C84 C89 . 1.432(6)
C85 C86 . 1.387(8)
C85 H85 . 0.9300
C86 C87 . 1.365(8)
C86 H86 . 0.9300
C87 C88 . 1.379(7)
C87 H87 . 0.9300
C88 C89 . 1.381(7)
C88 H88 . 0.9300
C810 H81A . 0.9600
C810 H81B . 0.9600
C810 H81C . 0.9600
N91 C91 . 1.341(5)
N91 C99 . 1.352(5)
C91 C92 . 1.397(6)
C91 H91 . 0.9300
C92 C93 . 1.357(7)
C92 C910 . 1.491(8)
C93 C94 . 1.390(7)
C93 H93 . 0.9300
C94 C95 . 1.391(7)
C94 C99 . 1.420(6)
C95 C96 . 1.369(8)
C95 H95 . 0.9300
C96 C97 . 1.383(7)
C96 H96 . 0.9300
C97 C98 . 1.394(7)
C97 H97 . 0.9300
C98 C99 . 1.377(6)
C98 H98 . 0.9300
C910 H91A . 0.9600
C910 H91B . 0.9600
C910 H91C . 0.9600
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O31 Cu1 Cu2 O22 . . 95.60(13)
O11 Cu1 Cu2 O22 . . -84.64(12)
O41 Cu1 Cu2 O22 . . -175.24(12)
O21 Cu1 Cu2 O22 . . 3.55(13)
O31 Cu1 Cu2 O32 . . 4.25(12)
O11 Cu1 Cu2 O32 . . -175.99(12)
O41 Cu1 Cu2 O32 . . 93.40(12)
O21 Cu1 Cu2 O32 . . -87.80(12)
O31 Cu1 Cu2 O42 . . -84.79(13)
O11 Cu1 Cu2 O42 . . 94.97(13)
O41 Cu1 Cu2 O42 . . 4.36(13)
N71 Cu1 Cu2 O42 . . -133.2(7)
O31 Cu1 Cu2 O12 . . -176.74(13)
O11 Cu1 Cu2 O12 . . 3.02(12)
O41 Cu1 Cu2 O12 . . -87.58(13)
O21 Cu1 Cu2 O12 . . 91.21(13)
O31 Cu1 Cu2 N81 . . -117.9(5)
O11 Cu1 Cu2 N81 . . 61.9(5)
O41 Cu1 Cu2 N81 . . -28.7(5)
O21 Cu1 Cu2 N81 . . 150.1(5)
O31 Cu1 O11 C11 . . 1.9(8)
O41 Cu1 O11 C11 . . 86.9(3)
O21 Cu1 O11 C11 . . -79.8(3)
N71 Cu1 O11 C11 . . -173.8(3)
Cu2 Cu1 O11 C11 . . 0.8(3)
O22 Cu2 O12 C11 . . 78.8(4)
O32 Cu2 O12 C11 . . -4.3(8)
O42 Cu2 O12 C11 . . -89.2(4)
N81 Cu2 O12 C11 . . -179.0(4)
Cu1 Cu2 O12 C11 . . -8.5(3)
Cu2 O12 C11 O11 . . 12.3(6)
Cu2 O12 C11 C12 . . -168.7(3)
Cu1 O11 C11 O12 . . -7.4(6)
Cu1 O11 C11 C12 . . 173.6(3)
O12 C11 C12 C17 . . 16.7(6)
O11 C11 C12 C17 . . -164.2(4)
O12 C11 C12 C13 . . -164.0(4)
O11 C11 C12 C13 . . 15.0(6)
C17 C12 C13 C14 . . -2.2(7)
C11 C12 C13 C14 . . 178.5(4)
C12 C13 C14 C15 . . 2.5(7)
C13 C14 C15 C16 . . -0.5(8)
C14 C15 C16 C17 . . -1.7(8)
C13 C12 C17 C16 . . 0.0(7)
C11 C12 C17 C16 . . 179.3(4)
C15 C16 C17 C12 . . 2.0(8)
O31 Cu1 O21 C21 . . -92.3(4)
O11 Cu1 O21 C21 . . 75.8(4)
O41 Cu1 O21 C21 . . -5.7(8)
N71 Cu1 O21 C21 . . 174.1(4)
Cu2 Cu1 O21 C21 . . -10.9(3)
O32 Cu2 O22 C21 . . 87.5(3)
O42 Cu2 O22 C21 . . 0.1(8)
O12 Cu2 O22 C21 . . -79.0(3)
N81 Cu2 O22 C21 . . -171.8(3)
Cu1 Cu2 O22 C21 . . 1.9(3)
Cu1 O21 C21 O22 . . 16.9(7)
Cu1 O21 C21 C22 . . -162.1(3)
Cu2 O22 C21 O21 . . -11.1(6)
Cu2 O22 C21 C22 . . 167.9(3)
O21 C21 C22 C27 . . 167.2(4)
O22 C21 C22 C27 . . -11.9(6)
O21 C21 C22 C23 . . -9.2(6)
O22 C21 C22 C23 . . 171.7(4)
C27 C22 C23 C24 . . -0.3(7)
C21 C22 C23 C24 . . 176.2(4)
C22 C23 C24 C25 . . -0.3(7)
C23 C24 C25 C26 . . 0.5(8)
C24 C25 C26 C27 . . -0.1(8)
C23 C22 C27 C26 . . 0.6(7)
C21 C22 C27 C26 . . -175.8(4)
C25 C26 C27 C22 . . -0.5(8)
O11 Cu1 O31 C31 . . -4.4(8)
O41 Cu1 O31 C31 . . -89.5(3)
O21 Cu1 O31 C31 . . 77.1(3)
N71 Cu1 O31 C31 . . 171.4(3)
Cu2 Cu1 O31 C31 . . -3.2(3)
O22 Cu2 O32 C31 . . -93.7(3)
O42 Cu2 O32 C31 . . 74.2(3)
O12 Cu2 O32 C31 . . -11.0(7)
N81 Cu2 O32 C31 . . 163.5(3)
Cu1 Cu2 O32 C31 . . -6.9(3)
Cu1 O31 C31 O32 . . -1.1(6)
Cu1 O31 C31 C32 . . 177.5(3)
Cu2 O32 C31 O31 . . 7.0(6)
Cu2 O32 C31 C32 . . -171.6(3)
O31 C31 C32 C33 . . -17.5(6)
O32 C31 C32 C33 . . 161.2(4)
O31 C31 C32 C37 . . 162.2(4)
O32 C31 C32 C37 . . -19.2(6)
C37 C32 C33 C34 . . 0.6(7)
C31 C32 C33 C34 . . -179.8(4)
C32 C33 C34 C35 . . -2.5(7)
C33 C34 C35 C36 . . 2.6(8)
C34 C35 C36 C37 . . -0.8(8)
C35 C36 C37 C32 . . -1.1(8)
C33 C32 C37 C36 . . 1.2(7)
C31 C32 C37 C36 . . -178.4(4)
O31 Cu1 O41 C41 . . 76.4(3)
O11 Cu1 O41 C41 . . -91.6(3)
O21 Cu1 O41 C41 . . -10.4(7)
N71 Cu1 O41 C41 . . 169.8(3)
Cu2 Cu1 O41 C41 . . -5.3(3)
O22 Cu2 O42 C41 . . -3.4(8)
O32 Cu2 O42 C41 . . -91.2(4)
O12 Cu2 O42 C41 . . 75.3(4)
N81 Cu2 O42 C41 . . 168.7(4)
Cu1 Cu2 O42 C41 . . -5.3(3)
Cu2 O42 C41 O41 . . 3.0(7)
Cu2 O42 C41 C42 . . -179.0(3)
Cu1 O41 C41 O42 . . 3.2(6)
Cu1 O41 C41 C42 . . -174.8(3)
O42 C41 C42 C43 . . -175.4(4)
O41 C41 C42 C43 . . 2.7(6)
O42 C41 C42 C47 . . 4.8(6)
O41 C41 C42 C47 . . -177.1(4)
C47 C42 C43 C44 . . -0.1(7)
C41 C42 C43 C44 . . -179.9(4)
C42 C43 C44 C45 . . -1.2(8)
C43 C44 C45 C46 . . 1.1(9)
C44 C45 C46 C47 . . 0.3(9)
C43 C42 C47 C46 . . 1.4(7)
C41 C42 C47 C46 . . -178.7(4)
C45 C46 C47 C42 . . -1.5(8)
O62 Cu3 O51 C51 . . -91.0(3)
O52 Cu3 O51 C51 . . -8.4(8)
O61 Cu3 O51 C51 . . 76.4(3)
N91 Cu3 O51 C51 . . 168.9(3)
Cu3 Cu3 O51 C51 3_666 . -4.7(3)
O51 Cu3 O52 C51 . 3_666 0.9(8)
O62 Cu3 O52 C51 . 3_666 84.0(3)
O61 Cu3 O52 C51 . 3_666 -83.6(3)
N91 Cu3 O52 C51 . 3_666 -176.4(3)
Cu3 Cu3 O52 C51 3_666 3_666 -2.8(3)
Cu3 O51 C51 O52 . 3_666 8.5(6)
Cu3 O51 C51 C52 . . -172.3(3)
O51 C51 C52 C57 . . 160.5(4)
O52 C51 C52 C57 3_666 . -20.2(6)
O51 C51 C52 C53 . . -18.8(6)
O52 C51 C52 C53 3_666 . 160.4(4)
C57 C52 C53 C54 . . 1.4(8)
C51 C52 C53 C54 . . -179.3(4)
C52 C53 C54 C55 . . -0.7(8)
C53 C54 C55 C56 . . -1.4(9)
C54 C55 C56 C57 . . 2.8(9)
C53 C52 C57 C56 . . 0.0(7)
C51 C52 C57 C56 . . -179.3(4)
C55 C56 C57 C52 . . -2.1(8)
O51 Cu3 O61 C61 . . -79.6(4)
O62 Cu3 O61 C61 . . 7.6(8)
O52 Cu3 O61 C61 . . 87.7(4)
N91 Cu3 O61 C61 . . -177.7(4)
Cu3 Cu3 O61 C61 3_666 . 5.7(3)
O51 Cu3 O62 C61 . 3_666 89.5(3)
O52 Cu3 O62 C61 . 3_666 -77.8(3)
O61 Cu3 O62 C61 . 3_666 2.6(8)
N91 Cu3 O62 C61 . 3_666 -172.0(3)
Cu3 Cu3 O62 C61 3_666 3_666 4.5(3)
Cu3 O61 C61 O62 . 3_666 -11.7(7)
Cu3 O61 C61 C62 . . 167.5(3)
O62 C61 C62 C67 3_666 . 13.7(6)
O61 C61 C62 C67 . . -165.5(4)
O62 C61 C62 C63 3_666 . -170.3(4)
O61 C61 C62 C63 . . 10.5(6)
C67 C62 C63 C64 . . -0.3(7)
C61 C62 C63 C64 . . -176.4(4)
C62 C63 C64 C65 . . 1.3(7)
C63 C64 C65 C66 . . -1.1(8)
C64 C65 C66 C67 . . -0.1(8)
C63 C62 C67 C66 . . -0.8(7)
C61 C62 C67 C66 . . 175.2(4)
C65 C66 C67 C62 . . 1.0(8)
O31 Cu1 N71 C71 . . -50.7(3)
O11 Cu1 N71 C71 . . 128.4(3)
O41 Cu1 N71 C71 . . -139.8(3)
O21 Cu1 N71 C71 . . 40.2(3)
O31 Cu1 N71 C79 . . 133.0(3)
O11 Cu1 N71 C79 . . -47.9(3)
O41 Cu1 N71 C79 . . 43.9(3)
O21 Cu1 N71 C79 . . -136.1(3)
C79 N71 C71 C72 . . 0.2(7)
Cu1 N71 C71 C72 . . -176.6(4)
N71 C71 C72 C73 . . -1.8(8)
N71 C71 C72 C710 . . 178.4(5)
C71 C72 C73 C74 . . 2.2(8)
C710 C72 C73 C74 . . -178.0(5)
C72 C73 C74 C75 . . 178.6(5)
C72 C73 C74 C79 . . -1.0(7)
C73 C74 C75 C76 . . -177.8(5)
C79 C74 C75 C76 . . 1.8(7)
C74 C75 C76 C77 . . -1.7(8)
C75 C76 C77 C78 . . 0.4(8)
C76 C77 C78 C79 . . 0.8(7)
C71 N71 C79 C78 . . -178.6(4)
Cu1 N71 C79 C78 . . -2.5(6)
C71 N71 C79 C74 . . 1.1(6)
Cu1 N71 C79 C74 . . 177.2(3)
C77 C78 C79 N71 . . 179.1(4)
C77 C78 C79 C74 . . -0.6(6)
C75 C74 C79 N71 . . 179.7(4)
C73 C74 C79 N71 . . -0.7(6)
C75 C74 C79 C78 . . -0.6(6)
C73 C74 C79 C78 . . 179.0(4)
O22 Cu2 N81 C81 . . 143.3(3)
O32 Cu2 N81 C81 . . -123.3(3)
O42 Cu2 N81 C81 . . -35.1(3)
O12 Cu2 N81 C81 . . 55.4(3)
Cu1 Cu2 N81 C81 . . -2.4(7)
O22 Cu2 N81 C89 . . -47.9(4)
O32 Cu2 N81 C89 . . 45.5(4)
O42 Cu2 N81 C89 . . 133.8(4)
O12 Cu2 N81 C89 . . -135.8(4)
Cu1 Cu2 N81 C89 . . 166.4(3)
C89 N81 C81 C82 . . -1.6(7)
Cu2 N81 C81 C82 . . 168.6(4)
N81 C81 C82 C83 . . 2.4(8)
N81 C81 C82 C810 . . -177.3(5)
C81 C82 C83 C84 . . -0.8(9)
C810 C82 C83 C84 . . 178.8(6)
C82 C83 C84 C85 . . -179.0(5)
C82 C83 C84 C89 . . -1.2(8)
C83 C84 C85 C86 . . 178.7(6)
C89 C84 C85 C86 . . 1.0(8)
C84 C85 C86 C87 . . 0.2(10)
C85 C86 C87 C88 . . -1.1(9)
C86 C87 C88 C89 . . 0.7(8)
C81 N81 C89 C88 . . -179.4(4)
Cu2 N81 C89 C88 . . 12.2(6)
C81 N81 C89 C84 . . -0.7(6)
Cu2 N81 C89 C84 . . -169.0(3)
C87 C88 C89 N81 . . 179.3(4)
C87 C88 C89 C84 . . 0.5(7)
C85 C84 C89 N81 . . 179.9(4)
C83 C84 C89 N81 . . 2.0(7)
C85 C84 C89 C88 . . -1.3(7)
C83 C84 C89 C88 . . -179.2(4)
O51 Cu3 N91 C91 . . -126.5(3)
O62 Cu3 N91 C91 . . 141.1(3)
O52 Cu3 N91 C91 . . 52.9(3)
O61 Cu3 N91 C91 . . -37.8(3)
O51 Cu3 N91 C99 . . 44.8(4)
O62 Cu3 N91 C99 . . -47.6(4)
O52 Cu3 N91 C99 . . -135.8(4)
O61 Cu3 N91 C99 . . 133.6(4)
C99 N91 C91 C92 . . -0.6(7)
Cu3 N91 C91 C92 . . 171.9(4)
N91 C91 C92 C93 . . -0.1(8)
N91 C91 C92 C910 . . -178.8(5)
C91 C92 C93 C94 . . 1.0(8)
C910 C92 C93 C94 . . 179.6(6)
C92 C93 C94 C95 . . 179.4(5)
C92 C93 C94 C99 . . -1.2(8)
C93 C94 C95 C96 . . -180.0(5)
C99 C94 C95 C96 . . 0.7(8)
C94 C95 C96 C97 . . -0.9(9)
C95 C96 C97 C98 . . 0.5(8)
C96 C97 C98 C99 . . 0.1(8)
C91 N91 C99 C98 . . -179.7(4)
Cu3 N91 C99 C98 . . 9.4(6)
C91 N91 C99 C94 . . 0.3(6)
Cu3 N91 C99 C94 . . -170.6(3)
C97 C98 C99 N91 . . 179.7(4)
C97 C98 C99 C94 . . -0.3(7)
C93 C94 C99 N91 . . 0.6(7)
C95 C94 C99 N91 . . 179.9(4)
C93 C94 C99 C98 . . -179.4(4)
C95 C94 C99 C98 . . 0.0(6)
