#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/68/7206838.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_7206838
loop_
_publ_author_name
'Wu, Hua'
'Ma, Jian-Fang'
'Liu, Ying-Ying'
'Yang, Jin'
'Liu, Hai-Yan'
_publ_section_title
;
 Diverse topologies of six coordination polymers constructed from a
 tris(4-imidazolylphenyl)amine ligand and different carboxylates
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              7121
_journal_paper_doi               10.1039/c1ce05889d
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety
'2(C63 H52 O6 N14 Cu2),2(C8 H4 O4), 3(C H4 O), 8(H2 O)'
_chemical_formula_sum            'C145 H140 Cu4 N28 O31'
_chemical_formula_weight         3025.01
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.108(5)
_cell_angle_beta                 107.134(6)
_cell_angle_gamma                115.870(7)
_cell_formula_units_Z            1
_cell_length_a                   13.8890(13)
_cell_length_b                   15.7580(10)
_cell_length_c                   21.9600(12)
_cell_measurement_reflns_used    14596
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.4
_cell_measurement_theta_min      4.3
_cell_volume                     4071.1(6)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_sigmaI/netI    0.1381
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            27063
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         4.34
_exptl_absorpt_coefficient_mu    0.590
_exptl_absorpt_correction_T_max  0.888
_exptl_absorpt_correction_T_min  0.828
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1570
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.824
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     983
_refine_ls_number_reflns         14596
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.888
_refine_ls_R_factor_all          0.1324
_refine_ls_R_factor_gt           0.0642
_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)+(0.0920P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1510
_refine_ls_wR_factor_ref         0.1693
_reflns_number_gt                6961
_reflns_number_total             14596
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c1ce05889d.txt
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        4071.1(5)
_cod_original_sg_symbol_Hall     '-P 1 '
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               7206838
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
Cu1 Cu 0.59964(4) 0.50116(3) 0.35581(3) 0.04185(18) Uani 1 1 d .
Cu2 Cu -0.29634(4) -0.69969(3) 0.13957(3) 0.04036(18) Uani 1 1 d .
C1 C 0.1819(4) -0.2154(3) 0.3967(2) 0.0500(13) Uani 1 1 d .
C2 C 0.0967(4) -0.2975(3) 0.4045(3) 0.0566(14) Uani 1 1 d .
H2 H 0.0774 -0.2981 0.4417 0.068 Uiso 1 1 calc R
C3 C 0.0392(4) -0.3790(3) 0.3578(3) 0.0570(14) Uani 1 1 d .
H3 H -0.0155 -0.4347 0.3648 0.068 Uiso 1 1 calc R
C4 C 0.0621(4) -0.3787(3) 0.3014(2) 0.0474(12) Uani 1 1 d .
C5 C 0.1470(5) -0.2968(4) 0.2922(3) 0.0673(16) Uani 1 1 d .
H5 H 0.1641 -0.2962 0.2543 0.081 Uiso 1 1 calc R
C6 C 0.2061(5) -0.2161(3) 0.3396(3) 0.0637(15) Uani 1 1 d .
H6 H 0.2630 -0.1613 0.3332 0.076 Uiso 1 1 calc R
C7 C 0.0407(5) -0.4947(5) 0.2132(3) 0.090(2) Uani 1 1 d .
H7 H 0.1143 -0.4657 0.2120 0.108 Uiso 1 1 calc R
C8 C -0.0463(5) -0.5757(4) 0.1757(3) 0.0764(18) Uani 1 1 d .
H8 H -0.0424 -0.6126 0.1438 0.092 Uiso 1 1 calc R
C9 C -0.1101(4) -0.5269(3) 0.2380(2) 0.0457(12) Uani 1 1 d .
H9 H -0.1584 -0.5226 0.2581 0.055 Uiso 1 1 calc R
C10 C 0.2489(4) -0.1409(3) 0.5111(2) 0.0465(12) Uani 1 1 d .
C11 C 0.2933(5) -0.1953(3) 0.5432(3) 0.0620(15) Uani 1 1 d .
H11 H 0.3185 -0.2288 0.5220 0.074 Uiso 1 1 calc R
C12 C 0.3014(5) -0.2015(4) 0.6074(3) 0.0638(15) Uani 1 1 d .
H12 H 0.3319 -0.2390 0.6290 0.077 Uiso 1 1 calc R
C13 C 0.2643(4) -0.1524(3) 0.6387(2) 0.0472(12) Uani 1 1 d .
C14 C 0.2188(5) -0.0988(4) 0.6057(3) 0.0737(17) Uani 1 1 d .
H14 H 0.1934 -0.0651 0.6266 0.088 Uiso 1 1 calc R
C15 C 0.2101(5) -0.0937(4) 0.5427(3) 0.0723(17) Uani 1 1 d .
H15 H 0.1773 -0.0577 0.5209 0.087 Uiso 1 1 calc R
C16 C 0.2637(4) -0.2317(3) 0.7349(2) 0.0495(13) Uani 1 1 d .
H16 H 0.2421 -0.2921 0.7136 0.059 Uiso 1 1 calc R
C17 C 0.3169(6) -0.1162(4) 0.8090(3) 0.0785(19) Uani 1 1 d .
H17 H 0.3386 -0.0808 0.8494 0.094 Uiso 1 1 calc R
C18 C 0.3111(6) -0.0823(4) 0.7535(3) 0.085(2) Uani 1 1 d .
H18 H 0.3281 -0.0194 0.7486 0.102 Uiso 1 1 calc R
C19 C 0.2787(4) -0.0383(3) 0.4294(2) 0.0497(13) Uani 1 1 d .
C20 C 0.3770(4) 0.0357(3) 0.4696(3) 0.0609(15) Uani 1 1 d .
H20 H 0.4222 0.0241 0.5056 0.073 Uiso 1 1 calc R
C21 C 0.4102(5) 0.1300(3) 0.4566(3) 0.0620(15) Uani 1 1 d .
H21 H 0.4751 0.1810 0.4850 0.074 Uiso 1 1 calc R
C22 C 0.3468(4) 0.1453(3) 0.4025(3) 0.0514(13) Uani 1 1 d .
C23 C 0.2479(4) 0.0713(3) 0.3617(3) 0.0628(15) Uani 1 1 d .
H23 H 0.2037 0.0831 0.3254 0.075 Uiso 1 1 calc R
C24 C 0.2143(5) -0.0210(3) 0.3750(3) 0.0607(15) Uani 1 1 d .
H24 H 0.1481 -0.0714 0.3470 0.073 Uiso 1 1 calc R
C25 C 0.4804(4) 0.3071(3) 0.3891(2) 0.0489(13) Uani 1 1 d .
H25 H 0.5446 0.2979 0.3994 0.059 Uiso 1 1 calc R
C26 C 0.3051(5) 0.2799(4) 0.3691(4) 0.083(2) Uani 1 1 d .
H26 H 0.2277 0.2506 0.3629 0.100 Uiso 1 1 calc R
C27 C 0.3687(5) 0.3684(4) 0.3608(3) 0.080(2) Uani 1 1 d .
H27 H 0.3415 0.4121 0.3483 0.096 Uiso 1 1 calc R
C28 C 0.9263(4) 0.7671(3) 0.1123(2) 0.0517(13) Uani 1 1 d .
C29 C 0.8618(4) 0.6721(3) 0.1167(3) 0.0524(13) Uani 1 1 d .
H29 H 0.8401 0.6238 0.0830 0.063 Uiso 1 1 calc R
C30 C 0.8299(4) 0.6487(3) 0.1698(2) 0.0525(13) Uani 1 1 d .
H30 H 0.7867 0.5848 0.1717 0.063 Uiso 1 1 calc R
C31 C 0.8605(4) 0.7177(3) 0.2198(2) 0.0451(12) Uani 1 1 d .
C32 C 0.9242(4) 0.8131(3) 0.2175(3) 0.0594(14) Uani 1 1 d .
H32 H 0.9439 0.8609 0.2511 0.071 Uiso 1 1 calc R
C33 C 0.9577(4) 0.8359(3) 0.1643(3) 0.0607(15) Uani 1 1 d .
H33 H 1.0031 0.8997 0.1633 0.073 Uiso 1 1 calc R
C34 C 0.8706(4) 0.7416(3) 0.3364(3) 0.0599(15) Uani 1 1 d .
H34 H 0.9344 0.8010 0.3519 0.072 Uiso 1 1 calc R
C35 C 0.8083(4) 0.6884(3) 0.3701(3) 0.0590(14) Uani 1 1 d .
H35 H 0.8230 0.7045 0.4140 0.071 Uiso 1 1 calc R
C36 C 0.7312(4) 0.6104(3) 0.2737(2) 0.0466(12) Uani 1 1 d .
H36 H 0.6829 0.5632 0.2374 0.056 Uiso 1 1 calc R
C37 C 0.8801(4) 0.7325(3) -0.0054(3) 0.0520(13) Uani 1 1 d .
C38 C 0.7701(4) 0.7224(4) -0.0291(3) 0.0611(14) Uani 1 1 d .
H38 H 0.7466 0.7546 -0.0056 0.073 Uiso 1 1 calc R
C39 C 0.6970(4) 0.6644(4) -0.0874(3) 0.0559(14) Uani 1 1 d .
H39 H 0.6239 0.6579 -0.1038 0.067 Uiso 1 1 calc R
C40 C 0.7316(4) 0.6159(3) -0.1217(2) 0.0496(13) Uani 1 1 d .
C41 C 0.8413(4) 0.6264(4) -0.0988(3) 0.0600(14) Uani 1 1 d .
H41 H 0.8654 0.5945 -0.1221 0.072 Uiso 1 1 calc R
C42 C 0.9142(4) 0.6863(4) -0.0398(3) 0.0581(14) Uani 1 1 d .
H42 H 0.9882 0.6947 -0.0237 0.070 Uiso 1 1 calc R
C43 C 0.6337(5) 0.4629(4) -0.2012(3) 0.0726(18) Uani 1 1 d .
H43 H 0.6701 0.4294 -0.1792 0.087 Uiso 1 1 calc R
C44 C 0.5492(5) 0.4307(3) -0.2591(3) 0.0645(16) Uani 1 1 d .
H44 H 0.5171 0.3702 -0.2836 0.077 Uiso 1 1 calc R
C45 C 0.5839(4) 0.5736(3) -0.2282(2) 0.0523(13) Uani 1 1 d .
H45 H 0.5814 0.6316 -0.2270 0.063 Uiso 1 1 calc R
C46 C 1.0601(4) 0.8688(3) 0.0591(2) 0.0491(12) Uani 1 1 d .
C47 C 1.0625(4) 0.9228(3) 0.0114(3) 0.0549(13) Uani 1 1 d .
H47 H 0.9951 0.9099 -0.0213 0.066 Uiso 1 1 calc R
C48 C 1.1637(4) 0.9968(3) 0.0109(3) 0.0557(14) Uani 1 1 d .
H48 H 1.1641 1.0338 -0.0216 0.067 Uiso 1 1 calc R
C49 C 1.2628(4) 1.0153(3) 0.0582(2) 0.0492(13) Uani 1 1 d .
C50 C 1.2626(4) 0.9607(3) 0.1063(3) 0.0609(15) Uani 1 1 d .
H50 H 1.3303 0.9725 0.1384 0.073 Uiso 1 1 calc R
C51 C 1.1609(4) 0.8883(4) 0.1063(3) 0.0648(16) Uani 1 1 d .
H51 H 1.1603 0.8517 0.1391 0.078 Uiso 1 1 calc R
C52 C 1.3929(4) 1.1176(4) 0.0015(3) 0.0659(16) Uani 1 1 d .
H52 H 1.3442 1.0931 -0.0411 0.079 Uiso 1 1 calc R
C53 C 1.4626(4) 1.1440(3) 0.1074(2) 0.0485(12) Uani 1 1 d .
H53 H 1.4680 1.1397 0.1503 0.058 Uiso 1 1 calc R
C54 C 1.5012(4) 1.1877(4) 0.0216(3) 0.0636(15) Uani 1 1 d .
H54 H 1.5403 1.2204 -0.0053 0.076 Uiso 1 1 calc R
C55 C 0.8941(4) 0.4796(3) 0.4558(2) 0.0436(12) Uani 1 1 d .
C56 C 0.9443(4) 0.5501(3) 0.5104(2) 0.0527(13) Uani 1 1 d .
H56 H 0.9067 0.5838 0.5175 0.063 Uiso 1 1 calc R
C57 C 1.0496(4) 0.5704(3) 0.5543(2) 0.0515(13) Uani 1 1 d .
H57 H 1.0826 0.6178 0.5905 0.062 Uiso 1 1 calc R
C58 C 0.7818(4) 0.4612(3) 0.4062(3) 0.0476(13) Uani 1 1 d .
C59 C 0.1049(5) -0.4249(4) 0.0393(3) 0.0576(14) Uani 1 1 d .
C60 C 0.0958(5) -0.4722(4) -0.0177(3) 0.0698(16) Uani 1 1 d .
H60 H 0.1594 -0.4530 -0.0304 0.084 Uiso 1 1 calc R
C61 C -0.0069(5) -0.5478(4) -0.0562(3) 0.0691(16) Uani 1 1 d .
H61 H -0.0105 -0.5803 -0.0933 0.083 Uiso 1 1 calc R
C62 C 0.2152(5) -0.3452(4) 0.0823(3) 0.0740(17) Uani 1 1 d .
C63 C -0.4415(4) -0.5338(3) 0.0475(2) 0.0409(11) Uani 1 1 d .
C64 C -0.4525(4) -0.5547(3) -0.0161(2) 0.0478(12) Uani 1 1 d .
H64 H -0.4204 -0.5910 -0.0272 0.057 Uiso 1 1 calc R
C65 C -0.5114(4) -0.5214(3) -0.0634(2) 0.0458(12) Uani 1 1 d .
H65 H -0.5195 -0.5363 -0.1064 0.055 Uiso 1 1 calc R
C66 C -0.3843(4) -0.5760(3) 0.0994(2) 0.0411(12) Uani 1 1 d .
C67 C 0.0007(8) 0.0223(6) 0.4404(6) 0.117(3) Uani 1 1 d D
C68 C -0.0817(8) -0.0634(6) 0.4464(7) 0.131(4) Uani 1 1 d .
H68 H -0.1369 -0.1064 0.4095 0.157 Uiso 1 1 calc R
C69 C 0.0834(10) 0.0865(7) 0.4928(7) 0.133(4) Uani 1 1 d .
H69 H 0.1393 0.1439 0.4884 0.159 Uiso 1 1 calc R
C70 C -0.0050(9) 0.0452(8) 0.3707(7) 0.132(4) Uani 1 1 d D
C71 C 0.4298(13) 0.6574(13) 0.4186(8) 0.107(5) Uani 0.50 1 d P
C72 C 0.608(2) -0.2028(19) 0.3721(12) 0.188(11) Uani 0.50 1 d P
C73 C -0.2299(8) -0.8263(5) 0.0497(4) 0.114(3) Uani 1 1 d .
H73A H -0.1971 -0.8223 0.0163 0.171 Uiso 1 1 calc R
H73B H -0.3064 -0.8772 0.0350 0.171 Uiso 1 1 calc R
H73C H -0.1858 -0.8389 0.0877 0.171 Uiso 1 1 calc R
C74 C 0.0541(17) 0.3331(17) 0.3259(12) 0.151(8) Uani 0.50 1 d P
O1 O -0.3258(3) -0.6099(2) 0.08403(15) 0.0447(8) Uani 1 1 d .
O2 O -0.4002(3) -0.5759(2) 0.15262(16) 0.0513(8) Uani 1 1 d .
O3 O 0.2293(4) -0.3311(3) 0.1411(2) 0.0961(14) Uani 1 1 d .
O4 O 0.2887(4) -0.2966(3) 0.0568(2) 0.0917(14) Uani 1 1 d .
O5 O 0.7557(3) 0.4186(2) 0.35037(19) 0.0655(10) Uani 1 1 d .
O6 O 0.7204(3) 0.4894(2) 0.42429(16) 0.0531(9) Uani 1 1 d .
O7 O -0.0649(7) -0.0221(5) 0.3253(4) 0.162(3) Uani 1 1 d .
O8 O 0.0512(6) 0.1305(5) 0.3673(4) 0.151(3) Uani 1 1 d .
O7W O 0.6477(13) -0.1635(19) 0.1596(7) 0.263(12) Uani 0.50 1 d P
O12 O 0.4929(18) -0.2100(13) 0.3474(9) 0.196(7) Uani 0.50 1 d P
O13 O 0.0586(14) 0.2976(9) 0.3827(8) 0.165(5) Uani 0.50 1 d P
O14 O 0.3181(15) 0.5968(12) 0.4150(11) 0.221(9) Uani 0.50 1 d P
N1 N 0.2441(4) -0.1321(2) 0.44563(19) 0.0559(11) Uani 1 1 d .
N2 N 0.3786(3) 0.2413(3) 0.3889(2) 0.0524(11) Uani 1 1 d .
N3 N 0.4788(3) 0.3864(2) 0.37311(19) 0.0465(10) Uani 1 1 d .
N4 N 0.0004(3) -0.4626(3) 0.2535(2) 0.0481(10) Uani 1 1 d .
N5 N -0.1412(3) -0.5961(3) 0.19118(19) 0.0456(10) Uani 1 1 d .
N6 N 0.2757(4) -0.1560(3) 0.7052(2) 0.0529(11) Uani 1 1 d .
N7 N 0.2857(3) -0.2115(3) 0.7967(2) 0.0479(10) Uani 1 1 d .
N8 N 0.9553(3) 0.7915(3) 0.0572(2) 0.0629(12) Uani 1 1 d .
N9 N 0.8223(3) 0.6918(2) 0.27442(19) 0.0465(10) Uani 1 1 d .
N10 N 0.7197(3) 0.6067(2) 0.33101(19) 0.0455(10) Uani 1 1 d .
N11 N 0.6552(3) 0.5535(3) -0.18147(19) 0.0485(10) Uani 1 1 d .
N12 N 0.5182(3) 0.4997(3) -0.27594(19) 0.0478(10) Uani 1 1 d .
N13 N 1.3688(3) 1.0898(3) 0.05610(19) 0.0523(11) Uani 1 1 d .
N14 N 1.5454(3) 1.2036(2) 0.08847(19) 0.0485(10) Uani 1 1 d .
O1W O 0.5891(4) 0.6067(3) 0.4241(3) 0.1064(16) Uani 1 1 d .
O2W O 0.3807(10) -0.1758(8) 0.2303(5) 0.117(4) Uani 0.50 1 d PD
O3W O 0.4668(7) -0.1207(7) 0.1255(4) 0.219(4) Uani 1 1 d .
O4W O 0.4080(11) 0.1427(7) 0.2486(5) 0.135(5) Uani 0.50 1 d P
O5W O -0.2829(12) -0.1280(10) 0.2899(7) 0.165(5) Uiso 0.50 1 d P
O6W O 0.5623(4) 0.3172(3) 0.2481(2) 0.0887(13) Uani 1 1 d D
O9 O -0.2302(3) -0.7404(2) 0.06425(17) 0.0597(9) Uani 1 1 d .
H6WA H 0.575(5) 0.350(4) 0.218(2) 0.090 Uiso 1 1 d D
H2WA H 0.423(5) -0.156(4) 0.208(3) 0.090 Uiso 1 1 d 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 0.0000 0.0000 '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'
N N 0.0061 0.0033 '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
O6 Cu1 N3 91.62(14) . .
O6 Cu1 N10 89.03(14) . .
N3 Cu1 N10 173.91(17) . .
O6 Cu1 N12 170.31(17) . 2_665
N3 Cu1 N12 89.16(15) . 2_665
N10 Cu1 N12 89.18(15) . 2_665
O6 Cu1 O1W 93.10(18) . .
N3 Cu1 O1W 93.63(17) . .
N10 Cu1 O1W 92.37(17) . .
N12 Cu1 O1W 96.48(18) 2_665 .
O1 Cu2 N14 86.15(14) . 1_335
O1 Cu2 N5 91.07(13) . .
N14 Cu2 N5 176.16(16) 1_335 .
O1 Cu2 N7 169.66(16) . 2_546
N14 Cu2 N7 90.57(15) 1_335 2_546
N5 Cu2 N7 91.71(15) . 2_546
O1 Cu2 O9 87.33(13) . .
N14 Cu2 O9 90.25(15) 1_335 .
N5 Cu2 O9 92.27(15) . .
N7 Cu2 O9 102.50(15) 2_546 .
C2 C1 C6 118.0(4) . .
C2 C1 N1 121.2(5) . .
C6 C1 N1 120.8(4) . .
C1 C2 C3 120.9(5) . .
C1 C2 H2 119.5 . .
C3 C2 H2 119.5 . .
C4 C3 C2 120.7(4) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C3 C4 C5 119.4(4) . .
C3 C4 N4 119.8(4) . .
C5 C4 N4 120.8(5) . .
C6 C5 C4 119.8(5) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 C1 121.1(4) . .
C5 C6 H6 119.4 . .
C1 C6 H6 119.4 . .
C8 C7 N4 107.0(5) . .
C8 C7 H7 126.5 . .
N4 C7 H7 126.5 . .
C7 C8 N5 109.9(5) . .
C7 C8 H8 125.0 . .
N5 C8 H8 125.0 . .
N5 C9 N4 112.0(5) . .
N5 C9 H9 124.0 . .
N4 C9 H9 124.0 . .
C11 C10 C15 118.8(5) . .
C11 C10 N1 120.5(5) . .
C15 C10 N1 120.7(4) . .
C10 C11 C12 120.6(5) . .
C10 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
C13 C12 C11 119.9(5) . .
C13 C12 H12 120.1 . .
C11 C12 H12 120.1 . .
C14 C13 C12 118.8(5) . .
C14 C13 N6 121.1(5) . .
C12 C13 N6 120.1(4) . .
C15 C14 C13 121.1(6) . .
C15 C14 H14 119.5 . .
C13 C14 H14 119.5 . .
C14 C15 C10 120.8(5) . .
C14 C15 H15 119.6 . .
C10 C15 H15 119.6 . .
N7 C16 N6 112.7(4) . .
N7 C16 H16 123.6 . .
N6 C16 H16 123.6 . .
C18 C17 N7 108.7(5) . .
C18 C17 H17 125.7 . .
N7 C17 H17 125.7 . .
C17 C18 N6 108.2(5) . .
C17 C18 H18 125.9 . .
N6 C18 H18 125.9 . .
C20 C19 C24 119.6(4) . .
C20 C19 N1 118.9(4) . .
C24 C19 N1 121.5(4) . .
C19 C20 C21 120.1(5) . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C22 C21 C20 119.4(5) . .
C22 C21 H21 120.3 . .
C20 C21 H21 120.3 . .
C21 C22 C23 120.9(4) . .
C21 C22 N2 120.1(4) . .
C23 C22 N2 118.8(4) . .
C22 C23 C24 119.7(5) . .
C22 C23 H23 120.2 . .
C24 C23 H23 120.2 . .
C19 C24 C23 120.2(4) . .
C19 C24 H24 119.9 . .
C23 C24 H24 119.9 . .
N3 C25 N2 112.0(4) . .
N3 C25 H25 124.0 . .
N2 C25 H25 124.0 . .
C27 C26 N2 105.2(5) . .
C27 C26 H26 127.4 . .
N2 C26 H26 127.4 . .
C26 C27 N3 111.3(5) . .
C26 C27 H27 124.4 . .
N3 C27 H27 124.4 . .
C33 C28 C29 117.0(5) . .
C33 C28 N8 121.8(4) . .
C29 C28 N8 121.2(5) . .
C30 C29 C28 121.1(5) . .
C30 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
C31 C30 C29 120.7(4) . .
C31 C30 H30 119.6 . .
C29 C30 H30 119.6 . .
C30 C31 C32 120.3(5) . .
C30 C31 N9 119.9(4) . .
C32 C31 N9 119.7(4) . .
C33 C32 C31 118.5(5) . .
C33 C32 H32 120.7 . .
C31 C32 H32 120.7 . .
C32 C33 C28 122.4(4) . .
C32 C33 H33 118.8 . .
C28 C33 H33 118.8 . .
C35 C34 N9 106.6(4) . .
C35 C34 H34 126.7 . .
N9 C34 H34 126.7 . .
C34 C35 N10 110.3(5) . .
C34 C35 H35 124.9 . .
N10 C35 H35 124.9 . .
N10 C36 N9 111.0(4) . .
N10 C36 H36 124.5 . .
N9 C36 H36 124.5 . .
C42 C37 C38 120.2(5) . .
C42 C37 N8 121.0(5) . .
C38 C37 N8 118.8(5) . .
C39 C38 C37 119.3(5) . .
C39 C38 H38 120.4 . .
C37 C38 H38 120.4 . .
C38 C39 C40 120.3(5) . .
C38 C39 H39 119.9 . .
C40 C39 H39 119.9 . .
C39 C40 C41 120.7(5) . .
C39 C40 N11 120.6(4) . .
C41 C40 N11 118.6(5) . .
C40 C41 C42 117.8(5) . .
C40 C41 H41 121.1 . .
C42 C41 H41 121.1 . .
C37 C42 C41 121.6(5) . .
C37 C42 H42 119.2 . .
C41 C42 H42 119.2 . .
C44 C43 N11 106.7(4) . .
C44 C43 H43 126.6 . .
N11 C43 H43 126.6 . .
C43 C44 N12 109.8(5) . .
C43 C44 H44 125.1 . .
N12 C44 H44 125.1 . .
N12 C45 N11 110.8(4) . .
N12 C45 H45 124.6 . .
N11 C45 H45 124.6 . .
C47 C46 C51 118.5(4) . .
C47 C46 N8 119.5(4) . .
C51 C46 N8 121.9(4) . .
C46 C47 C48 120.9(5) . .
C46 C47 H47 119.5 . .
C48 C47 H47 119.5 . .
C49 C48 C47 119.7(5) . .
C49 C48 H48 120.1 . .
C47 C48 H48 120.1 . .
C48 C49 C50 120.3(4) . .
C48 C49 N13 119.6(4) . .
C50 C49 N13 120.0(4) . .
C49 C50 C51 119.0(5) . .
C49 C50 H50 120.5 . .
C51 C50 H50 120.5 . .
C46 C51 C50 121.5(5) . .
C46 C51 H51 119.2 . .
C50 C51 H51 119.2 . .
C54 C52 N13 106.3(4) . .
C54 C52 H52 126.9 . .
N13 C52 H52 126.9 . .
N14 C53 N13 110.9(4) . .
N14 C53 H53 124.5 . .
N13 C53 H53 124.5 . .
C52 C54 N14 109.6(4) . .
C52 C54 H54 125.2 . .
N14 C54 H54 125.2 . .
C57 C55 C56 119.3(4) 2_766 .
C57 C55 C58 120.3(5) 2_766 .
C56 C55 C58 120.3(5) . .
C57 C56 C55 120.5(5) . .
C57 C56 H56 119.7 . .
C55 C56 H56 119.7 . .
C55 C57 C56 120.1(5) 2_766 .
C55 C57 H57 119.9 2_766 .
C56 C57 H57 119.9 . .
O5 C58 O6 124.7(5) . .
O5 C58 C55 117.9(5) . .
O6 C58 C55 117.5(5) . .
C60 C59 C61 118.6(5) . 2_545
C60 C59 C62 121.9(6) . .
C61 C59 C62 119.5(6) 2_545 .
C59 C60 C61 121.2(6) . .
C59 C60 H60 119.4 . .
C61 C60 H60 119.4 . .
C60 C61 C59 120.2(6) . 2_545
C60 C61 H61 119.9 . .
C59 C61 H61 119.9 2_545 .
O3 C62 O4 124.1(6) . .
O3 C62 C59 117.7(6) . .
O4 C62 C59 118.2(6) . .
C64 C63 C65 119.4(4) . 2_445
C64 C63 C66 120.2(4) . .
C65 C63 C66 120.3(4) 2_445 .
C63 C64 C65 119.7(4) . .
C63 C64 H64 120.1 . .
C65 C64 H64 120.1 . .
C64 C65 C63 120.9(4) . 2_445
C64 C65 H65 119.6 . .
C63 C65 H65 119.6 2_445 .
O2 C66 O1 125.4(4) . .
O2 C66 C63 118.3(5) . .
O1 C66 C63 116.2(5) . .
C69 C67 C68 121.6(11) . .
C69 C67 C70 120.2(10) . .
C68 C67 C70 118.2(11) . .
C67 C68 C69 120.8(10) . 2_556
C67 C68 H68 119.6 . .
C69 C68 H68 119.6 2_556 .
C67 C69 C68 117.5(9) . 2_556
C67 C69 H69 121.2 . .
C68 C69 H69 121.2 2_556 .
O7 C70 O8 126.7(12) . .
O7 C70 C67 117.3(9) . .
O8 C70 C67 116.0(11) . .
O9 C73 H73A 109.5 . .
O9 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
O9 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
C66 O1 Cu2 114.2(3) . .
C58 O6 Cu1 117.1(3) . .
C1 N1 C19 121.3(4) . .
C1 N1 C10 119.8(3) . .
C19 N1 C10 117.3(4) . .
C25 N2 C26 106.9(4) . .
C25 N2 C22 128.1(4) . .
C26 N2 C22 124.9(4) . .
C25 N3 C27 104.5(4) . .
C25 N3 Cu1 129.1(3) . .
C27 N3 Cu1 125.7(3) . .
C9 N4 C7 105.7(4) . .
C9 N4 C4 127.2(5) . .
C7 N4 C4 127.1(4) . .
C9 N5 C8 105.4(4) . .
C9 N5 Cu2 130.1(3) . .
C8 N5 Cu2 123.8(4) . .
C16 N6 C18 104.8(4) . .
C16 N6 C13 127.0(4) . .
C18 N6 C13 128.0(4) . .
C16 N7 C17 105.6(4) . .
C16 N7 Cu2 125.1(3) . 2_546
C17 N7 Cu2 128.5(4) . 2_546
C28 N8 C46 123.2(4) . .
C28 N8 C37 119.8(4) . .
C46 N8 C37 116.8(4) . .
C36 N9 C34 106.5(4) . .
C36 N9 C31 125.3(4) . .
C34 N9 C31 128.2(4) . .
C36 N10 C35 105.6(4) . .
C36 N10 Cu1 126.9(3) . .
C35 N10 Cu1 127.5(4) . .
C45 N11 C43 106.8(4) . .
C45 N11 C40 124.6(4) . .
C43 N11 C40 128.5(4) . .
C45 N12 C44 105.9(4) . .
C45 N12 Cu1 124.2(3) . 2_665
C44 N12 Cu1 130.0(3) . 2_665
C53 N13 C52 107.5(4) . .
C53 N13 C49 126.4(4) . .
C52 N13 C49 126.1(4) . .
C53 N14 C54 105.7(4) . .
C53 N14 Cu2 130.7(3) . 1_775
C54 N14 Cu2 123.6(3) . 1_775
C73 O9 Cu2 128.2(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O6 1.976(3) .
Cu1 N3 1.997(4) .
Cu1 N10 1.998(4) .
Cu1 N12 2.011(4) 2_665
Cu1 O1W 2.299(5) .
Cu2 O1 1.983(3) .
Cu2 N14 1.993(3) 1_335
Cu2 N5 2.003(4) .
Cu2 N7 2.017(4) 2_546
Cu2 O9 2.316(4) .
C1 C2 1.377(6) .
C1 C6 1.391(7) .
C1 N1 1.426(6) .
C2 C3 1.383(7) .
C2 H2 0.9300 .
C3 C4 1.365(7) .
C3 H3 0.9300 .
C4 C5 1.385(6) .
C4 N4 1.419(6) .
C5 C6 1.382(7) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.340(7) .
C7 N4 1.369(7) .
C7 H7 0.9300 .
C8 N5 1.362(7) .
C8 H8 0.9300 .
C9 N5 1.310(6) .
C9 N4 1.349(5) .
C9 H9 0.9300 .
C10 C11 1.357(7) .
C10 C15 1.371(7) .
C10 N1 1.431(6) .
C11 C12 1.390(7) .
C11 H11 0.9300 .
C12 C13 1.370(7) .
C12 H12 0.9300 .
C13 C14 1.363(7) .
C13 N6 1.425(6) .
C14 C15 1.359(8) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 N7 1.301(6) .
C16 N6 1.341(5) .
C16 H16 0.9300 .
C17 C18 1.336(8) .
C17 N7 1.365(6) .
C17 H17 0.9300 .
C18 N6 1.365(7) .
C18 H18 0.9300 .
C19 C20 1.365(7) .
C19 C24 1.379(6) .
C19 N1 1.430(5) .
C20 C21 1.412(6) .
C20 H20 0.9300 .
C21 C22 1.351(7) .
C21 H21 0.9300 .
C22 C23 1.373(7) .
C22 N2 1.444(6) .
C23 C24 1.386(6) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 N3 1.311(5) .
C25 N2 1.337(6) .
C25 H25 0.9300 .
C26 C27 1.337(7) .
C26 N2 1.376(7) .
C26 H26 0.9300 .
C27 N3 1.366(6) .
C27 H27 0.9300 .
C28 C33 1.383(7) .
C28 C29 1.393(6) .
C28 N8 1.394(6) .
C29 C30 1.369(7) .
C29 H29 0.9300 .
C30 C31 1.357(7) .
C30 H30 0.9300 .
C31 C32 1.384(6) .
C31 N9 1.448(6) .
C32 C33 1.379(7) .
C32 H32 0.9300 .
C33 H33 0.9300 .
C34 C35 1.329(7) .
C34 N9 1.371(6) .
C34 H34 0.9300 .
C35 N10 1.363(6) .
C35 H35 0.9300 .
C36 N10 1.314(6) .
C36 N9 1.347(5) .
C36 H36 0.9300 .
C37 C42 1.346(7) .
C37 C38 1.395(7) .
C37 N8 1.450(6) .
C38 C39 1.373(7) .
C38 H38 0.9300 .
C39 C40 1.376(7) .
C39 H39 0.9300 .
C40 C41 1.389(7) .
C40 N11 1.426(6) .
C41 C42 1.393(7) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 C44 1.351(7) .
C43 N11 1.359(6) .
C43 H43 0.9300 .
C44 N12 1.355(6) .
C44 H44 0.9300 .
C45 N12 1.323(6) .
C45 N11 1.349(6) .
C45 H45 0.9300 .
C46 C47 1.362(7) .
C46 C51 1.373(7) .
C46 N8 1.421(6) .
C47 C48 1.384(6) .
C47 H47 0.9300 .
C48 C49 1.362(7) .
C48 H48 0.9300 .
C49 C50 1.375(7) .
C49 N13 1.443(6) .
C50 C51 1.376(7) .
C50 H50 0.9300 .
C51 H51 0.9300 .
C52 C54 1.348(7) .
C52 N13 1.368(6) .
C52 H52 0.9300 .
C53 N14 1.315(6) .
C53 N13 1.350(6) .
C53 H53 0.9300 .
C54 N14 1.384(6) .
C54 H54 0.9300 .
C55 C57 1.382(7) 2_766
C55 C56 1.393(7) .
C55 C58 1.515(7) .
C56 C57 1.386(7) .
C56 H56 0.9300 .
C57 C55 1.382(7) 2_766
C57 H57 0.9300 .
C58 O5 1.257(6) .
C58 O6 1.268(6) .
C59 C60 1.389(8) .
C59 C61 1.403(8) 2_545
C59 C62 1.496(8) .
C60 C61 1.391(8) .
C60 H60 0.9300 .
C61 C59 1.403(8) 2_545
C61 H61 0.9300 .
C62 O3 1.247(7) .
C62 O4 1.270(7) .
C63 C64 1.377(7) .
C63 C65 1.388(6) 2_445
C63 C66 1.525(6) .
C64 C65 1.386(6) .
C64 H64 0.9300 .
C65 C63 1.388(6) 2_445
C65 H65 0.9300 .
C66 O2 1.252(6) .
C66 O1 1.264(6) .
C67 C69 1.351(14) .
C67 C68 1.378(11) .
C67 C70 1.567(12) .
C68 C69 1.394(14) 2_556
C68 H68 0.9300 .
C69 C68 1.394(14) 2_556
C69 H69 0.9300 .
C70 O7 1.230(12) .
C70 O8 1.244(10) .
C71 O14 1.40(2) .
C72 O12 1.47(3) .
C73 O9 1.387(7) .
C73 H73A 0.9600 .
C73 H73B 0.9600 .
C73 H73C 0.9600 .
C74 O13 1.37(2) .
N7 Cu2 2.017(4) 2_546
N12 Cu1 2.011(4) 2_665
N14 Cu2 1.993(3) 1_775
O2W H2WA 0.84(2) .
O6W H6WA 0.86(2) .
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
C6 C1 C2 C3 2.0(8) . .
N1 C1 C2 C3 -177.9(5) . .
C1 C2 C3 C4 -3.1(8) . .
C2 C3 C4 C5 2.6(8) . .
C2 C3 C4 N4 -178.6(4) . .
C3 C4 C5 C6 -1.1(8) . .
N4 C4 C5 C6 -179.8(5) . .
C4 C5 C6 C1 0.0(9) . .
C2 C1 C6 C5 -0.4(8) . .
N1 C1 C6 C5 179.4(5) . .
N4 C7 C8 N5 0.1(8) . .
C15 C10 C11 C12 -1.3(8) . .
N1 C10 C11 C12 177.9(5) . .
C10 C11 C12 C13 0.0(8) . .
C11 C12 C13 C14 0.7(8) . .
C11 C12 C13 N6 -178.0(5) . .
C12 C13 C14 C15 0.0(9) . .
N6 C13 C14 C15 178.6(5) . .
C13 C14 C15 C10 -1.3(9) . .
C11 C10 C15 C14 2.0(9) . .
N1 C10 C15 C14 -177.3(5) . .
N7 C17 C18 N6 0.1(8) . .
C24 C19 C20 C21 2.3(9) . .
N1 C19 C20 C21 -176.7(5) . .
C19 C20 C21 C22 -3.2(9) . .
C20 C21 C22 C23 3.1(9) . .
C20 C21 C22 N2 179.3(5) . .
C21 C22 C23 C24 -2.1(9) . .
N2 C22 C23 C24 -178.3(5) . .
C20 C19 C24 C23 -1.3(9) . .
N1 C19 C24 C23 177.6(5) . .
C22 C23 C24 C19 1.2(9) . .
N2 C26 C27 N3 1.4(8) . .
C33 C28 C29 C30 1.0(7) . .
N8 C28 C29 C30 -177.5(5) . .
C28 C29 C30 C31 -0.1(8) . .
C29 C30 C31 C32 0.4(8) . .
C29 C30 C31 N9 177.6(4) . .
C30 C31 C32 C33 -1.6(8) . .
N9 C31 C32 C33 -178.8(5) . .
C31 C32 C33 C28 2.6(8) . .
C29 C28 C33 C32 -2.2(8) . .
N8 C28 C33 C32 176.2(5) . .
N9 C34 C35 N10 -1.4(6) . .
C42 C37 C38 C39 0.5(7) . .
N8 C37 C38 C39 -178.0(4) . .
C37 C38 C39 C40 0.8(7) . .
C38 C39 C40 C41 -1.6(7) . .
C38 C39 C40 N11 178.4(4) . .
C39 C40 C41 C42 1.0(7) . .
N11 C40 C41 C42 -179.0(4) . .
C38 C37 C42 C41 -1.1(8) . .
N8 C37 C42 C41 177.3(4) . .
C40 C41 C42 C37 0.4(8) . .
N11 C43 C44 N12 0.4(7) . .
C51 C46 C47 C48 -1.0(8) . .
N8 C46 C47 C48 -178.1(5) . .
C46 C47 C48 C49 0.8(8) . .
C47 C48 C49 C50 0.1(8) . .
C47 C48 C49 N13 177.4(5) . .
C48 C49 C50 C51 -0.9(8) . .
N13 C49 C50 C51 -178.2(5) . .
C47 C46 C51 C50 0.2(9) . .
N8 C46 C51 C50 177.2(5) . .
C49 C50 C51 C46 0.7(9) . .
N13 C52 C54 N14 0.4(7) . .
C57 C55 C56 C57 0.2(8) 2_766 .
C58 C55 C56 C57 -176.8(4) . .
C55 C56 C57 C55 -0.2(8) . 2_766
C57 C55 C58 O5 -16.9(6) 2_766 .
C56 C55 C58 O5 160.0(4) . .
C57 C55 C58 O6 162.5(4) 2_766 .
C56 C55 C58 O6 -20.6(6) . .
C61 C59 C60 C61 -2.7(8) 2_545 .
C62 C59 C60 C61 178.4(5) . .
C59 C60 C61 C59 2.7(9) . 2_545
C60 C59 C62 O3 -153.1(6) . .
C61 C59 C62 O3 27.9(8) 2_545 .
C60 C59 C62 O4 26.5(8) . .
C61 C59 C62 O4 -152.5(5) 2_545 .
C65 C63 C64 C65 -0.8(7) 2_445 .
C66 C63 C64 C65 175.6(4) . .
C63 C64 C65 C63 0.8(7) . 2_445
C64 C63 C66 O2 -162.6(4) . .
C65 C63 C66 O2 13.8(6) 2_445 .
C64 C63 C66 O1 16.3(6) . .
C65 C63 C66 O1 -167.4(4) 2_445 .
C69 C67 C68 C69 0.8(15) . 2_556
C70 C67 C68 C69 -177.9(8) . 2_556
C68 C67 C69 C68 -0.8(15) . 2_556
C70 C67 C69 C68 177.9(7) . 2_556
C69 C67 C70 O7 164.6(9) . .
C68 C67 C70 O7 -16.7(12) . .
C69 C67 C70 O8 -16.3(12) . .
C68 C67 C70 O8 162.5(7) . .
O2 C66 O1 Cu2 17.9(5) . .
C63 C66 O1 Cu2 -160.9(3) . .
N14 Cu2 O1 C66 78.2(3) 1_335 .
N5 Cu2 O1 C66 -99.1(3) . .
N7 Cu2 O1 C66 6.5(9) 2_546 .
O9 Cu2 O1 C66 168.6(3) . .
O5 C58 O6 Cu1 -18.4(6) . .
C55 C58 O6 Cu1 162.2(3) . .
N3 Cu1 O6 C58 108.2(3) . .
N10 Cu1 O6 C58 -65.8(3) . .
N12 Cu1 O6 C58 13.6(10) 2_665 .
O1W Cu1 O6 C58 -158.1(3) . .
C2 C1 N1 C19 -142.4(5) . .
C6 C1 N1 C19 37.8(7) . .
C2 C1 N1 C10 22.3(7) . .
C6 C1 N1 C10 -157.5(5) . .
C20 C19 N1 C1 -148.7(5) . .
C24 C19 N1 C1 32.3(8) . .
C20 C19 N1 C10 46.2(7) . .
C24 C19 N1 C10 -132.8(5) . .
C11 C10 N1 C1 59.7(7) . .
C15 C10 N1 C1 -121.1(5) . .
C11 C10 N1 C19 -134.9(5) . .
C15 C10 N1 C19 44.3(7) . .
N3 C25 N2 C26 2.1(6) . .
N3 C25 N2 C22 178.7(5) . .
C27 C26 N2 C25 -2.1(7) . .
C27 C26 N2 C22 -178.8(5) . .
C21 C22 N2 C25 50.1(8) . .
C23 C22 N2 C25 -133.7(6) . .
C21 C22 N2 C26 -134.0(6) . .
C23 C22 N2 C26 42.3(8) . .
N2 C25 N3 C27 -1.2(6) . .
N2 C25 N3 Cu1 -172.2(3) . .
C26 C27 N3 C25 -0.2(7) . .
C26 C27 N3 Cu1 171.2(5) . .
O6 Cu1 N3 C25 -36.7(4) . .
N10 Cu1 N3 C25 59.4(16) . .
N12 Cu1 N3 C25 133.7(4) 2_665 .
O1W Cu1 N3 C25 -129.9(4) . .
O6 Cu1 N3 C27 154.1(5) . .
N10 Cu1 N3 C27 -109.8(14) . .
N12 Cu1 N3 C27 -35.5(5) 2_665 .
O1W Cu1 N3 C27 60.9(5) . .
N5 C9 N4 C7 0.0(6) . .
N5 C9 N4 C4 179.5(4) . .
C8 C7 N4 C9 0.0(7) . .
C8 C7 N4 C4 -179.6(5) . .
C3 C4 N4 C9 35.9(7) . .
C5 C4 N4 C9 -145.4(5) . .
C3 C4 N4 C7 -144.7(6) . .
C5 C4 N4 C7 34.0(8) . .
N4 C9 N5 C8 0.0(5) . .
N4 C9 N5 Cu2 -170.2(3) . .
C7 C8 N5 C9 -0.1(7) . .
C7 C8 N5 Cu2 170.9(5) . .
O1 Cu2 N5 C9 79.9(4) . .
N14 Cu2 N5 C9 36(3) 1_335 .
N7 Cu2 N5 C9 -90.1(4) 2_546 .
O9 Cu2 N5 C9 167.3(4) . .
O1 Cu2 N5 C8 -88.7(4) . .
N14 Cu2 N5 C8 -132(2) 1_335 .
N7 Cu2 N5 C8 101.3(4) 2_546 .
O9 Cu2 N5 C8 -1.3(4) . .
N7 C16 N6 C18 1.7(6) . .
N7 C16 N6 C13 176.4(4) . .
C17 C18 N6 C16 -1.0(7) . .
C17 C18 N6 C13 -175.6(5) . .
C14 C13 N6 C16 144.5(5) . .
C12 C13 N6 C16 -36.9(8) . .
C14 C13 N6 C18 -42.1(8) . .
C12 C13 N6 C18 136.6(6) . .
N6 C16 N7 C17 -1.6(6) . .
N6 C16 N7 Cu2 -172.1(3) . 2_546
C18 C17 N7 C16 0.9(7) . .
C18 C17 N7 Cu2 170.9(4) . 2_546
C33 C28 N8 C46 36.2(8) . .
C29 C28 N8 C46 -145.4(5) . .
C33 C28 N8 C37 -148.3(5) . .
C29 C28 N8 C37 30.1(8) . .
C47 C46 N8 C28 -143.0(5) . .
C51 C46 N8 C28 40.0(8) . .
C47 C46 N8 C37 41.4(7) . .
C51 C46 N8 C37 -135.6(6) . .
C42 C37 N8 C28 -117.2(6) . .
C38 C37 N8 C28 61.3(7) . .
C42 C37 N8 C46 58.6(7) . .
C38 C37 N8 C46 -123.0(5) . .
N10 C36 N9 C34 0.2(5) . .
N10 C36 N9 C31 178.8(4) . .
C35 C34 N9 C36 0.8(6) . .
C35 C34 N9 C31 -177.8(5) . .
C30 C31 N9 C36 -21.8(7) . .
C32 C31 N9 C36 155.4(5) . .
C30 C31 N9 C34 156.4(5) . .
C32 C31 N9 C34 -26.3(7) . .
N9 C36 N10 C35 -1.0(5) . .
N9 C36 N10 Cu1 -179.4(3) . .
C34 C35 N10 C36 1.5(6) . .
C34 C35 N10 Cu1 179.9(4) . .
O6 Cu1 N10 C36 123.5(4) . .
N3 Cu1 N10 C36 27.3(16) . .
N12 Cu1 N10 C36 -46.9(4) 2_665 .
O1W Cu1 N10 C36 -143.4(4) . .
O6 Cu1 N10 C35 -54.5(4) . .
N3 Cu1 N10 C35 -150.7(13) . .
N12 Cu1 N10 C35 135.0(4) 2_665 .
O1W Cu1 N10 C35 38.6(4) . .
N12 C45 N11 C43 0.6(6) . .
N12 C45 N11 C40 -175.7(4) . .
C44 C43 N11 C45 -0.6(6) . .
C44 C43 N11 C40 175.5(5) . .
C39 C40 N11 C45 42.9(7) . .
C41 C40 N11 C45 -137.2(5) . .
C39 C40 N11 C43 -132.5(6) . .
C41 C40 N11 C43 47.4(7) . .
N11 C45 N12 C44 -0.3(6) . .
N11 C45 N12 Cu1 -179.5(3) . 2_665
C43 C44 N12 C45 -0.1(7) . .
C43 C44 N12 Cu1 179.0(4) . 2_665
N14 C53 N13 C52 -0.9(6) . .
N14 C53 N13 C49 178.4(4) . .
C54 C52 N13 C53 0.3(6) . .
C54 C52 N13 C49 -179.0(5) . .
C48 C49 N13 C53 150.1(5) . .
C50 C49 N13 C53 -32.6(8) . .
C48 C49 N13 C52 -30.7(8) . .
C50 C49 N13 C52 146.6(6) . .
N13 C53 N14 C54 1.1(6) . .
N13 C53 N14 Cu2 -179.3(3) . 1_775
C52 C54 N14 C53 -0.9(6) . .
C52 C54 N14 Cu2 179.5(4) . 1_775
O1 Cu2 O9 C73 -152.2(5) . .
N14 Cu2 O9 C73 -66.1(6) 1_335 .
N5 Cu2 O9 C73 116.8(5) . .
N7 Cu2 O9 C73 24.5(6) 2_546 .
