#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:40:30 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179072 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/34/4303436.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_4303436
loop_
_publ_author_name
'Michael Stollenz'
'Michael John'
'Henrike Gehring'
'Sebastian Dechert'
'Christian Grosse'
'Franc Meyer'
_publ_contact_author_address
; Institut für Anorganische Chemie
  Georg August Universität Göttingen
  Tammannstraße 4
  D-37077 Göttingen
  Germany
;
_publ_contact_author_email       franc.meyer@chemie.uni-goettingen.de
_publ_contact_author_fax         49(551)393063
_publ_contact_author_name        'Prof. Dr. Franc Meyer'
_publ_section_title
;
Oligonuclear Homoleptic Copper(I) Pyrazolates with Multinucleating Ligand
Scaffolds: High Structural Diversity in Solid-State and Solution
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10049
_journal_page_last               10059
_journal_paper_doi               10.1021/ic900727h
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C124 H108 Cu4 N24, 3(C7 H8)'
_chemical_formula_sum            'C145 H132 Cu4 N24'
_chemical_formula_weight         2464.91
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.105(2)
_cell_angle_beta                 93.087(2)
_cell_angle_gamma                115.284(2)
_cell_formula_units_Z            2
_cell_length_a                   15.7778(5)
_cell_length_b                   18.3074(7)
_cell_length_c                   24.0587(8)
_cell_measurement_reflns_used    9860
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      60.6685
_cell_measurement_theta_min      1.925
_cell_volume                     5994.5(4)
_computing_cell_refinement       'Bruker AXS SAINT (v 7.33A, Bruker 2006)'
_computing_data_collection       'Proteum2 (v 2.2-RC7, Bruker 2006)'
_computing_data_reduction        'Bruker AXS SAINT (v 7.33A, Bruker 2006)'
_computing_molecular_graphics    'Bruker AXS SHELXTL (v 6.12)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.602
_diffrn_measured_fraction_theta_full 0.925
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measurement_device_type  'Bruker three circle diffractometer'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  'mirror system'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0803
_diffrn_reflns_av_sigmaI/netI    0.0699
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            101071
_diffrn_reflns_theta_full        60.89
_diffrn_reflns_theta_max         60.89
_diffrn_reflns_theta_min         1.92
_diffrn_source                   'rotating anode'
_diffrn_source_type              'Bruker AXS'
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.306
_exptl_absorpt_correction_T_max  0.9743
_exptl_absorpt_correction_T_min  0.7801
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   twinabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2572
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.888
_refine_diff_density_min         -0.570
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1697
_refine_ls_number_reflns         16908
_refine_ls_number_restraints     2024
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0901
_refine_ls_R_factor_gt           0.0579
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1018P)²+2.8933P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1473
_refine_ls_wR_factor_ref         0.1683
_reflns_number_gt                12603
_reflns_number_total             16908
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900727h_si_002_1.cif
_cod_data_source_block           3-74
_cod_database_code               4303436
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.14183(6) 0.83895(6) 0.13421(3) 0.0289(2) Uani 1 1 d U . .
Cu2 Cu 0.27114(6) 0.92174(5) 0.25737(4) 0.0257(2) Uani 1 1 d U . .
Cu3 Cu 0.07328(6) 0.86467(5) 0.25204(4) 0.0255(2) Uani 1 1 d U . .
Cu4 Cu 0.20894(6) 0.94788(6) 0.38552(3) 0.0272(2) Uani 1 1 d U . .
C01 C 0.0763(4) 1.0415(4) 0.1759(2) 0.0245(11) Uani 1 1 d U . .
C02 C 0.1057(4) 0.9882(4) 0.1375(3) 0.0267(11) Uani 1 1 d U . .
N03 N 0.0968(3) 0.9237(3) 0.1574(2) 0.0274(10) Uani 1 1 d U . .
N04 N 0.0621(3) 0.9328(3) 0.2085(2) 0.0255(10) Uani 1 1 d U . .
C05 C 0.0476(4) 1.0021(4) 0.2196(2) 0.0231(11) Uani 1 1 d U . .
C06 C 0.0845(4) 1.1230(4) 0.1729(2) 0.0261(11) Uani 1 1 d U . .
C07 C 0.1680(4) 1.1822(4) 0.1597(3) 0.0344(13) Uani 1 1 d U . .
H07A H 0.2175 1.1675 0.1501 0.041 Uiso 1 1 calc R . .
C08 C 0.1780(5) 1.2623(4) 0.1605(3) 0.0421(15) Uani 1 1 d U . .
H08A H 0.2333 1.3009 0.1503 0.050 Uiso 1 1 calc R . .
C09 C 0.1086(5) 1.2853(4) 0.1761(3) 0.0427(15) Uani 1 1 d U . .
H09A H 0.1169 1.3405 0.1781 0.051 Uiso 1 1 calc R . .
C010 C 0.0269(5) 1.2284(4) 0.1888(3) 0.0383(14) Uani 1 1 d U . .
H01A H -0.0209 1.2447 0.1995 0.046 Uiso 1 1 calc R . .
C011 C 0.0134(4) 1.1479(4) 0.1861(3) 0.0319(13) Uani 1 1 d U . .
H01B H -0.0449 1.1088 0.1933 0.038 Uiso 1 1 calc R . .
C012 C 0.0123(4) 1.0282(4) 0.2737(2) 0.0287(13) Uani 1 1 d U . .
H01C H 0.0354 1.0104 0.3046 0.034 Uiso 1 1 calc R . .
H01D H 0.0407 1.0907 0.2870 0.034 Uiso 1 1 calc R . .
N013 N -0.0929(3) 0.9931(3) 0.2673(2) 0.0285(11) Uani 1 1 d U . .
C014 C -0.1434(4) 0.9020(4) 0.2391(3) 0.0341(15) Uani 1 1 d U . .
H01E H -0.2091 0.8802 0.2461 0.051 Uiso 1 1 calc R . .
H01F H -0.1113 0.8743 0.2552 0.051 Uiso 1 1 calc R . .
H01G H -0.1437 0.8905 0.1971 0.051 Uiso 1 1 calc R . .
C015 C -0.1387(4) 1.0419(4) 0.2654(3) 0.0309(12) Uani 1 1 d DU . .
C016 C -0.2234(4) 1.0098(5) 0.2256(3) 0.0364(14) Uani 1 1 d DU . .
H01H H -0.2487 0.9538 0.2002 0.044 Uiso 1 1 calc R . .
C017 C -0.2720(5) 1.0578(5) 0.2221(3) 0.0402(15) Uani 1 1 d DU . .
H01I H -0.3295 1.0334 0.1947 0.048 Uiso 1 1 calc R . .
C018 C -0.2385(4) 1.1382(4) 0.2569(3) 0.0418(15) Uani 1 1 d DU . .
H01J H -0.2709 1.1707 0.2531 0.050 Uiso 1 1 calc R . .
C019 C -0.1557(4) 1.1727(4) 0.2985(3) 0.0381(14) Uani 1 1 d DU . .
C020 C -0.1189(5) 1.2551(5) 0.3382(3) 0.0455(16) Uani 1 1 d DU . .
H02A H -0.1480 1.2900 0.3348 0.055 Uiso 1 1 calc R . .
C021 C -0.0433(5) 1.2844(4) 0.3808(3) 0.0443(16) Uani 1 1 d DU . .
H02B H -0.0196 1.3393 0.4075 0.053 Uiso 1 1 calc R . .
C022 C 0.0003(5) 1.2320(4) 0.3850(3) 0.0345(14) Uani 1 1 d DU . .
H02C H 0.0537 1.2529 0.4150 0.041 Uiso 1 1 calc R . .
N023 N -0.0305(3) 1.1552(3) 0.3487(2) 0.0297(11) Uani 1 1 d U . .
C024 C -0.1057(4) 1.1253(4) 0.3046(3) 0.0294(12) Uani 1 1 d DU . .
C025 C 0.1426(4) 0.9962(4) 0.0817(2) 0.0283(13) Uani 1 1 d U . .
H02E H 0.1231 1.0333 0.0664 0.034 Uiso 1 1 calc R . .
H02F H 0.2131 1.0232 0.0900 0.034 Uiso 1 1 calc R . .
N026 N 0.1070(3) 0.9137(3) 0.0367(2) 0.0298(11) Uani 1 1 d U . .
C027 C 0.0108(4) 0.8855(5) 0.0076(3) 0.0407(16) Uani 1 1 d U . .
H02G H -0.0131 0.8282 -0.0191 0.061 Uiso 1 1 calc R . .
H02H H 0.0108 0.9239 -0.0145 0.061 Uiso 1 1 calc R . .
H02I H -0.0305 0.8851 0.0367 0.061 Uiso 1 1 calc R . .
C028 C 0.1726(4) 0.9047(4) 0.0026(2) 0.0298(12) Uani 1 1 d DU . .
C029 C 0.1538(5) 0.8823(4) -0.0585(3) 0.0412(15) Uani 1 1 d DU . .
H02J H 0.0933 0.8703 -0.0780 0.049 Uiso 1 1 calc R . .
C030 C 0.2227(5) 0.8774(4) -0.0911(3) 0.0464(16) Uani 1 1 d DU . .
H03A H 0.2076 0.8615 -0.1324 0.056 Uiso 1 1 calc R . .
C031 C 0.3113(5) 0.8946(4) -0.0655(3) 0.0444(15) Uani 1 1 d DU . .
H03B H 0.3585 0.8949 -0.0885 0.053 Uiso 1 1 calc R . .
C032 C 0.3318(4) 0.9119(4) -0.0041(3) 0.0343(13) Uani 1 1 d DU . .
C033 C 0.4196(5) 0.9255(4) 0.0250(3) 0.0424(15) Uani 1 1 d DU . .
H03C H 0.4700 0.9283 0.0043 0.051 Uiso 1 1 calc R . .
C034 C 0.4311(5) 0.9345(4) 0.0836(3) 0.0395(15) Uani 1 1 d DU . .
H03D H 0.4904 0.9456 0.1044 0.047 Uiso 1 1 calc R . .
C035 C 0.3548(4) 0.9273(4) 0.1124(3) 0.0329(14) Uani 1 1 d DU . .
H03E H 0.3622 0.9291 0.1522 0.039 Uiso 1 1 calc R . .
N036 N 0.2730(3) 0.9182(3) 0.0875(2) 0.0312(11) Uani 1 1 d U . .
C037 C 0.2609(4) 0.9134(4) 0.0296(3) 0.0321(12) Uani 1 1 d DU . .
C11 C 0.2831(4) 1.1546(4) 0.3202(3) 0.0247(11) Uani 1 1 d U . .
C12 C 0.2466(4) 1.1116(4) 0.3609(3) 0.0264(12) Uani 1 1 d U . .
N13 N 0.2445(3) 1.0349(3) 0.3453(2) 0.0257(10) Uani 1 1 d U . .
N14 N 0.2792(3) 1.0263(3) 0.2944(2) 0.0263(10) Uani 1 1 d U . .
C15 C 0.3027(4) 1.0986(4) 0.2788(2) 0.0239(11) Uani 1 1 d U . .
C16 C 0.2964(4) 1.2398(4) 0.3201(2) 0.0257(12) Uani 1 1 d U . .
C17 C 0.2286(4) 1.2661(4) 0.3371(3) 0.0297(13) Uani 1 1 d U . .
H17A H 0.1722 1.2279 0.3466 0.036 Uiso 1 1 calc R . .
C18 C 0.2417(4) 1.3470(4) 0.3404(3) 0.0342(14) Uani 1 1 d U . .
H18A H 0.1955 1.3645 0.3530 0.041 Uiso 1 1 calc R . .
C19 C 0.3227(5) 1.4022(4) 0.3250(3) 0.0386(15) Uani 1 1 d U . .
H19A H 0.3328 1.4580 0.3275 0.046 Uiso 1 1 calc R . .
C110 C 0.3889(5) 1.3754(4) 0.3060(3) 0.0393(15) Uani 1 1 d U . .
H11P H 0.4432 1.4123 0.2939 0.047 Uiso 1 1 calc R . .
C111 C 0.3766(4) 1.2949(4) 0.3045(3) 0.0334(14) Uani 1 1 d U . .
H11Q H 0.4236 1.2779 0.2928 0.040 Uiso 1 1 calc R . .
C112 C 0.3419(4) 1.1063(4) 0.2247(3) 0.0280(13) Uani 1 1 d U . .
H11R H 0.3162 1.1367 0.2057 0.034 Uiso 1 1 calc R . .
H11S H 0.3206 1.0491 0.1975 0.034 Uiso 1 1 calc R . .
N113 N 0.4476(3) 1.1521(3) 0.2359(2) 0.0318(12) Uani 1 1 d U . .
C114 C 0.4912(5) 1.1144(4) 0.2679(3) 0.0440(17) Uani 1 1 d U . .
H11T H 0.5608 1.1465 0.2741 0.066 Uiso 1 1 calc R . .
H11U H 0.4716 1.0556 0.2452 0.066 Uiso 1 1 calc R . .
H11V H 0.4705 1.1158 0.3056 0.066 Uiso 1 1 calc R . .
C115 C 0.4906(4) 1.1786(4) 0.1898(3) 0.0351(13) Uani 1 1 d DU . .
C116 C 0.4413(5) 1.1507(4) 0.1335(3) 0.0377(14) Uani 1 1 d DU . .
H11W H 0.3754 1.1119 0.1251 0.045 Uiso 1 1 calc R . .
C117 C 0.4858(6) 1.1783(5) 0.0886(3) 0.0607(19) Uani 1 1 d DU . .
H11X H 0.4501 1.1588 0.0504 0.073 Uiso 1 1 calc R . .
C118 C 0.5805(6) 1.2331(5) 0.0998(4) 0.075(2) Uani 1 1 d DU . .
H11Y H 0.6114 1.2478 0.0685 0.090 Uiso 1 1 calc R . .
C119 C 0.6327(5) 1.2679(5) 0.1563(4) 0.0678(18) Uani 1 1 d DU . .
C120 C 0.7296(6) 1.3295(6) 0.1716(6) 0.105(3) Uani 1 1 d DU . .
H12A H 0.7651 1.3458 0.1423 0.126 Uiso 1 1 calc R . .
C121 C 0.7711(7) 1.3648(7) 0.2288(6) 0.115(3) Uani 1 1 d DU . .
H12B H 0.8353 1.4077 0.2399 0.137 Uiso 1 1 calc R . .
C122 C 0.7192(6) 1.3379(5) 0.2709(6) 0.098(3) Uani 1 1 d DU . .
H12C H 0.7494 1.3643 0.3106 0.117 Uiso 1 1 calc R . .
N123 N 0.6313(4) 1.2785(4) 0.2590(3) 0.0642(16) Uani 1 1 d U . .
C124 C 0.5879(5) 1.2416(4) 0.2019(4) 0.0508(16) Uani 1 1 d DU . .
C125 C 0.2178(4) 1.1373(4) 0.4179(2) 0.0270(13) Uani 1 1 d U . .
H12E H 0.2214 1.1941 0.4241 0.032 Uiso 1 1 calc R . .
H12F H 0.1511 1.0970 0.4170 0.032 Uiso 1 1 calc R . .
N126 N 0.2803(3) 1.1389(3) 0.4661(2) 0.0277(11) Uani 1 1 d U . .
C127 C 0.3717(4) 1.2140(4) 0.4795(3) 0.0349(15) Uani 1 1 d U . .
H12G H 0.4152 1.2112 0.5086 0.052 Uiso 1 1 calc R . .
H12H H 0.3627 1.2644 0.4949 0.052 Uiso 1 1 calc R . .
H12I H 0.3988 1.2170 0.4439 0.052 Uiso 1 1 calc R . .
C128 C 0.2407(4) 1.1142(4) 0.5130(3) 0.0296(13) Uani 1 1 d DU . .
C129 C 0.2785(5) 1.1630(4) 0.5700(3) 0.0355(15) Uani 1 1 d DU . .
H12J H 0.3338 1.2157 0.5774 0.043 Uiso 1 1 calc R . .
C130 C 0.2397(5) 1.1391(4) 0.6179(3) 0.0385(15) Uani 1 1 d DU . .
H13A H 0.2686 1.1752 0.6564 0.046 Uiso 1 1 calc R . .
C131 C 0.1603(4) 1.0639(4) 0.6087(3) 0.0377(15) Uani 1 1 d DU . .
H13B H 0.1338 1.0473 0.6408 0.045 Uiso 1 1 calc R . .
C132 C 0.1180(4) 1.0109(4) 0.5513(3) 0.0322(13) Uani 1 1 d DU . .
C133 C 0.0331(4) 0.9345(4) 0.5404(3) 0.0338(14) Uani 1 1 d DU . .
H13C H 0.0034 0.9187 0.5717 0.041 Uiso 1 1 calc R . .
C134 C -0.0053(4) 0.8840(4) 0.4850(3) 0.0374(15) Uani 1 1 d DU . .
H13D H -0.0641 0.8341 0.4767 0.045 Uiso 1 1 calc R . .
C135 C 0.0434(4) 0.9068(4) 0.4398(3) 0.0333(14) Uani 1 1 d DU . .
H13E H 0.0167 0.8702 0.4012 0.040 Uiso 1 1 calc R . .
N136 N 0.1245(3) 0.9766(3) 0.4481(2) 0.0286(10) Uani 1 1 d U . .
C137 C 0.1609(4) 1.0335(4) 0.5034(3) 0.0291(12) Uani 1 1 d DU . .
C21 C 0.1067(4) 0.6873(4) 0.3116(2) 0.0226(11) Uani 1 1 d U . .
C22 C 0.0605(4) 0.7090(4) 0.2716(2) 0.0238(12) Uani 1 1 d U . .
N23 N 0.0876(3) 0.7929(3) 0.2902(2) 0.0252(10) Uani 1 1 d U . .
N24 N 0.1488(3) 0.8267(3) 0.3431(2) 0.0250(10) Uani 1 1 d U . .
C25 C 0.1599(4) 0.7631(4) 0.3556(2) 0.0212(11) Uani 1 1 d U . .
C26 C 0.1017(4) 0.6036(4) 0.3077(3) 0.0271(12) Uani 1 1 d U . .
C27 C 0.0199(5) 0.5292(4) 0.2803(3) 0.0491(19) Uani 1 1 d U . .
H27A H -0.0358 0.5314 0.2658 0.059 Uiso 1 1 calc R . .
C28 C 0.0190(6) 0.4510(5) 0.2740(4) 0.064(2) Uani 1 1 d U . .
H28A H -0.0355 0.4008 0.2521 0.077 Uiso 1 1 calc R . .
C29 C 0.0950(5) 0.4450(4) 0.2988(3) 0.0504(19) Uani 1 1 d U . .
H29A H 0.0919 0.3914 0.2968 0.061 Uiso 1 1 calc R . .
C210 C 0.1762(5) 0.5187(4) 0.3265(3) 0.0371(15) Uani 1 1 d U . .
H21A H 0.2304 0.5158 0.3430 0.045 Uiso 1 1 calc R . .
C211 C 0.1799(4) 0.5964(4) 0.3308(3) 0.0285(13) Uani 1 1 d U . .
H21B H 0.2369 0.6463 0.3499 0.034 Uiso 1 1 calc R . .
C212 C 0.2207(4) 0.7842(4) 0.4127(2) 0.0242(12) Uani 1 1 d U . .
H21C H 0.2197 0.7319 0.4181 0.029 Uiso 1 1 calc R . .
H21D H 0.2873 0.8234 0.4123 0.029 Uiso 1 1 calc R . .
N213 N 0.1872(3) 0.8236(3) 0.4619(2) 0.0258(11) Uani 1 1 d U . .
C214 C 0.1027(4) 0.7595(4) 0.4737(3) 0.0331(15) Uani 1 1 d U . .
H21E H 0.0748 0.7869 0.5020 0.050 Uiso 1 1 calc R . .
H21F H 0.1199 0.7223 0.4897 0.050 Uiso 1 1 calc R . .
H21G H 0.0561 0.7261 0.4375 0.050 Uiso 1 1 calc R . .
C215 C 0.2549(4) 0.8885(4) 0.5090(2) 0.0252(12) Uani 1 1 d U . .
C216 C 0.2487(4) 0.8855(4) 0.5654(3) 0.0331(15) Uani 1 1 d U . .
H21H H 0.1985 0.8381 0.5721 0.040 Uiso 1 1 calc R . .
C217 C 0.3157(5) 0.9516(4) 0.6137(3) 0.0397(16) Uani 1 1 d U . .
H21I H 0.3070 0.9496 0.6522 0.048 Uiso 1 1 calc R . .
C218 C 0.3916(5) 1.0173(4) 0.6055(3) 0.0408(15) Uani 1 1 d U . .
H21J H 0.4383 1.0591 0.6380 0.049 Uiso 1 1 calc R . .
C219 C 0.4013(4) 1.0237(4) 0.5484(3) 0.0311(13) Uani 1 1 d U . .
C220 C 0.4799(5) 1.0901(4) 0.5370(3) 0.0348(14) Uani 1 1 d U . .
H22A H 0.5286 1.1324 0.5683 0.042 Uiso 1 1 calc R . .
C221 C 0.4861(4) 1.0937(4) 0.4820(3) 0.0365(15) Uani 1 1 d U . .
H22B H 0.5410 1.1353 0.4736 0.044 Uiso 1 1 calc R . .
C222 C 0.4094(4) 1.0344(4) 0.4376(3) 0.0297(13) Uani 1 1 d U . .
H22C H 0.4120 1.0402 0.3995 0.036 Uiso 1 1 calc R . .
N223 N 0.3336(3) 0.9708(3) 0.4450(2) 0.0310(11) Uani 1 1 d U . .
C224 C 0.3316(4) 0.9612(4) 0.4996(2) 0.0251(12) Uani 1 1 d U . .
C225 C -0.0080(4) 0.6575(4) 0.2154(3) 0.0282(13) Uani 1 1 d U . .
H22D H -0.0016 0.6942 0.1901 0.034 Uiso 1 1 calc R . .
H22E H 0.0084 0.6126 0.1952 0.034 Uiso 1 1 calc R . .
N226 N -0.1076(3) 0.6184(3) 0.2241(2) 0.0295(11) Uani 1 1 d U . .
C227 C -0.1320(4) 0.6824(4) 0.2595(3) 0.0434(17) Uani 1 1 d U . .
H22F H -0.1988 0.6552 0.2638 0.065 Uiso 1 1 calc R . .
H22G H -0.1221 0.7260 0.2402 0.065 Uiso 1 1 calc R . .
H22H H -0.0911 0.7084 0.2981 0.065 Uiso 1 1 calc R . .
C228 C -0.1757(4) 0.5638(4) 0.1735(3) 0.0270(12) Uani 1 1 d U . .
C229 C -0.1548(5) 0.5551(4) 0.1177(3) 0.0326(14) Uani 1 1 d U . .
H22I H -0.0913 0.5867 0.1128 0.039 Uiso 1 1 calc R . .
C230 C -0.2248(4) 0.5007(4) 0.0684(3) 0.0355(14) Uani 1 1 d U . .
H23A H -0.2073 0.4953 0.0310 0.043 Uiso 1 1 calc R . .
C231 C -0.3171(4) 0.4554(4) 0.0729(3) 0.0366(14) Uani 1 1 d U . .
H23B H -0.3643 0.4211 0.0388 0.044 Uiso 1 1 calc R . .
C232 C -0.3423(4) 0.4600(4) 0.1290(3) 0.0344(13) Uani 1 1 d U . .
C233 C -0.4352(5) 0.4100(4) 0.1366(3) 0.0410(15) Uani 1 1 d U . .
H23C H -0.4850 0.3764 0.1038 0.049 Uiso 1 1 calc R . .
C234 C -0.4533(5) 0.4102(4) 0.1917(3) 0.0422(16) Uani 1 1 d U . .
H23D H -0.5154 0.3768 0.1977 0.051 Uiso 1 1 calc R . .
C235 C -0.3793(5) 0.4600(4) 0.2380(3) 0.0411(15) Uani 1 1 d U . .
H23E H -0.3918 0.4573 0.2758 0.049 Uiso 1 1 calc R . .
N236 N -0.2921(4) 0.5113(3) 0.2336(2) 0.0333(11) Uani 1 1 d U . .
C237 C -0.2724(4) 0.5118(4) 0.1791(3) 0.0296(13) Uani 1 1 d U . .
C31 C 0.2698(4) 0.6970(4) 0.1753(2) 0.0243(11) Uani 1 1 d U . .
C32 C 0.3015(4) 0.7681(4) 0.2247(2) 0.0224(11) Uani 1 1 d U . .
N33 N 0.2638(3) 0.8186(3) 0.2163(2) 0.0241(10) Uani 1 1 d U . .
N34 N 0.2040(3) 0.7816(3) 0.1625(2) 0.0253(10) Uani 1 1 d U . .
C35 C 0.2073(4) 0.7082(4) 0.1378(2) 0.0243(11) Uani 1 1 d U . .
C36 C 0.2992(4) 0.6298(4) 0.1651(2) 0.0265(12) Uani 1 1 d U . .
C37 C 0.2947(4) 0.5848(4) 0.2052(3) 0.0323(13) Uani 1 1 d U . .
H37A H 0.2676 0.5949 0.2388 0.039 Uiso 1 1 calc R . .
C38 C 0.3298(5) 0.5245(4) 0.1962(3) 0.0413(15) Uani 1 1 d U . .
H38A H 0.3267 0.4947 0.2239 0.050 Uiso 1 1 calc R . .
C39 C 0.3684(5) 0.5089(4) 0.1474(3) 0.0429(15) Uani 1 1 d U . .
H39A H 0.3946 0.4700 0.1422 0.052 Uiso 1 1 calc R . .
C310 C 0.3691(4) 0.5496(4) 0.1063(3) 0.0403(15) Uani 1 1 d U . .
H31A H 0.3924 0.5361 0.0716 0.048 Uiso 1 1 calc R . .
C311 C 0.3364(4) 0.6100(4) 0.1144(3) 0.0329(13) Uani 1 1 d U . .
H31B H 0.3389 0.6383 0.0858 0.039 Uiso 1 1 calc R . .
C312 C 0.1442(4) 0.6512(4) 0.0814(2) 0.0274(13) Uani 1 1 d U . .
H31C H 0.1600 0.6038 0.0674 0.033 Uiso 1 1 calc R . .
H31D H 0.0772 0.6272 0.0872 0.033 Uiso 1 1 calc R . .
N313 N 0.1544(3) 0.6961(3) 0.0371(2) 0.0302(11) Uani 1 1 d U . .
C314 C 0.2430(4) 0.7116(4) 0.0150(3) 0.0353(15) Uani 1 1 d U . .
H31E H 0.2480 0.7417 -0.0142 0.053 Uiso 1 1 calc R . .
H31F H 0.2433 0.6576 -0.0029 0.053 Uiso 1 1 calc R . .
H31G H 0.2973 0.7460 0.0472 0.053 Uiso 1 1 calc R . .
C315 C 0.0697(4) 0.6603(4) -0.0052(3) 0.0292(12) Uani 1 1 d U . .
C316 C 0.0598(5) 0.6136(4) -0.0610(3) 0.0335(14) Uani 1 1 d U . .
H31H H 0.1123 0.6059 -0.0734 0.040 Uiso 1 1 calc R . .
C317 C -0.0269(5) 0.5764(4) -0.1007(3) 0.0379(14) Uani 1 1 d U . .
H31I H -0.0323 0.5439 -0.1393 0.046 Uiso 1 1 calc R . .
C318 C -0.1030(5) 0.5872(4) -0.0838(3) 0.0379(14) Uani 1 1 d U . .
H31J H -0.1618 0.5604 -0.1103 0.045 Uiso 1 1 calc R . .
C319 C -0.0952(4) 0.6375(4) -0.0275(3) 0.0311(12) Uani 1 1 d U . .
C320 C -0.1707(5) 0.6517(4) -0.0089(3) 0.0402(15) Uani 1 1 d U . .
H32A H -0.2302 0.6259 -0.0345 0.048 Uiso 1 1 calc R . .
C321 C -0.1595(5) 0.7021(4) 0.0457(3) 0.0395(15) Uani 1 1 d U . .
H32B H -0.2106 0.7114 0.0592 0.047 Uiso 1 1 calc R . .
C322 C -0.0693(4) 0.7398(4) 0.0815(3) 0.0324(14) Uani 1 1 d U . .
H32C H -0.0613 0.7759 0.1193 0.039 Uiso 1 1 calc R . .
N323 N 0.0044(3) 0.7295(3) 0.0671(2) 0.0311(11) Uani 1 1 d U . .
C324 C -0.0072(4) 0.6762(4) 0.0129(2) 0.0285(12) Uani 1 1 d U . .
C325 C 0.3695(4) 0.7938(4) 0.2801(2) 0.0259(12) Uani 1 1 d U . .
H32D H 0.3651 0.8405 0.3089 0.031 Uiso 1 1 calc R . .
H32E H 0.3498 0.7454 0.2963 0.031 Uiso 1 1 calc R . .
N326 N 0.4698(3) 0.8216(3) 0.2723(2) 0.0271(11) Uani 1 1 d U . .
C327 C 0.5027(4) 0.8853(4) 0.2418(3) 0.0384(16) Uani 1 1 d U . .
H32F H 0.5726 0.9146 0.2496 0.058 Uiso 1 1 calc R . .
H32G H 0.4781 0.9262 0.2554 0.058 Uiso 1 1 calc R . .
H32H H 0.4798 0.8580 0.1998 0.058 Uiso 1 1 calc R . .
C328 C 0.5100(4) 0.7659(4) 0.2653(3) 0.0304(12) Uani 1 1 d U . .
C329 C 0.5654(4) 0.7609(4) 0.2234(3) 0.0384(14) Uani 1 1 d U . .
H32I H 0.5729 0.7941 0.1975 0.046 Uiso 1 1 calc R . .
C330 C 0.6115(5) 0.7089(5) 0.2172(3) 0.0471(16) Uani 1 1 d U . .
H33A H 0.6493 0.7079 0.1879 0.057 Uiso 1 1 calc R . .
C331 C 0.6016(4) 0.6603(4) 0.2534(4) 0.0473(15) Uani 1 1 d U . .
H33B H 0.6310 0.6240 0.2486 0.057 Uiso 1 1 calc R . .
C332 C 0.5479(5) 0.6636(4) 0.2980(3) 0.0411(14) Uani 1 1 d U . .
C333 C 0.5386(5) 0.6164(4) 0.3386(3) 0.0470(15) Uani 1 1 d U . .
H33C H 0.5676 0.5798 0.3353 0.056 Uiso 1 1 calc R . .
C334 C 0.4888(5) 0.6237(4) 0.3817(3) 0.0474(16) Uani 1 1 d U . .
H33D H 0.4815 0.5918 0.4085 0.057 Uiso 1 1 calc R . .
C335 C 0.4480(5) 0.6791(4) 0.3863(3) 0.0401(15) Uani 1 1 d U . .
H33E H 0.4134 0.6838 0.4170 0.048 Uiso 1 1 calc R . .
N336 N 0.4547(3) 0.7251(3) 0.3507(2) 0.0322(11) Uani 1 1 d U . .
C337 C 0.5034(4) 0.7181(4) 0.3052(3) 0.0299(12) Uani 1 1 d U . .
C1_5 C 0.1251(7) 0.4373(6) 0.5715(4) 0.056(2) Uani 0.80 1 d PDU A 1
C2_5 C 0.1505(6) 0.4135(6) 0.5181(4) 0.058(2) Uani 0.80 1 d PDU A 1
H2A_5 H 0.1311 0.4279 0.4860 0.070 Uiso 0.80 1 calc PR A 1
C3_5 C 0.2033(7) 0.3696(6) 0.5108(4) 0.057(2) Uani 0.80 1 d PDU A 1
H3A_5 H 0.2196 0.3536 0.4739 0.068 Uiso 0.80 1 calc PR A 1
C4_5 C 0.2326(7) 0.3486(7) 0.5573(4) 0.060(2) Uani 0.80 1 d PDU A 1
H4A_5 H 0.2672 0.3166 0.5526 0.072 Uiso 0.80 1 calc PR A 1
C5_5 C 0.2101(8) 0.3756(7) 0.6110(4) 0.061(2) Uani 0.80 1 d PDU A 1
H5A_5 H 0.2325 0.3639 0.6436 0.073 Uiso 0.80 1 calc PR A 1
C6_5 C 0.1563(6) 0.4189(6) 0.6185(4) 0.058(2) Uani 0.80 1 d PDU A 1
H6A_5 H 0.1409 0.4359 0.6556 0.070 Uiso 0.80 1 calc PR A 1
C11_5 C 0.0694(8) 0.4894(7) 0.5785(5) 0.078(3) Uani 0.80 1 d PDU A 1
H11A_5 H 0.0398 0.4856 0.6131 0.117 Uiso 0.80 1 calc PR A 1
H11B_5 H 0.0198 0.4671 0.5439 0.117 Uiso 0.80 1 calc PR A 1
H11C_5 H 0.1130 0.5486 0.5828 0.117 Uiso 0.80 1 calc PR A 1
C1_6 C 0.3922(7) 0.6089(7) 0.5463(5) 0.065(3) Uani 0.80 1 d PDU B 2
C2_6 C 0.3279(6) 0.5853(6) 0.4954(4) 0.060(2) Uani 0.80 1 d PDU B 2
H2B_6 H 0.3201 0.5397 0.4631 0.072 Uiso 0.80 1 calc PR B 2
C3_6 C 0.2748(7) 0.6300(6) 0.4926(4) 0.061(2) Uani 0.80 1 d PDU B 2
H3B_6 H 0.2292 0.6132 0.4587 0.073 Uiso 0.80 1 calc PR B 2
C4_6 C 0.2888(7) 0.6969(6) 0.5381(4) 0.064(2) Uani 0.80 1 d PDU B 2
H4B_6 H 0.2552 0.7287 0.5354 0.077 Uiso 0.80 1 calc PR B 2
C5_6 C 0.3513(7) 0.7187(6) 0.5881(4) 0.066(3) Uani 0.80 1 d PDU B 2
H5B_6 H 0.3593 0.7648 0.6201 0.079 Uiso 0.80 1 calc PR B 2
C6_6 C 0.4020(7) 0.6756(7) 0.5928(5) 0.074(3) Uani 0.80 1 d PDU B 2
H6B_6 H 0.4444 0.6913 0.6280 0.089 Uiso 0.80 1 calc PR B 2
C11_6 C 0.4497(9) 0.5595(8) 0.5500(7) 0.096(4) Uani 0.80 1 d PDU B 2
H11D_6 H 0.4470 0.5261 0.5107 0.144 Uiso 0.80 1 calc PR B 2
H11E_6 H 0.4225 0.5218 0.5739 0.144 Uiso 0.80 1 calc PR B 2
H11F_6 H 0.5162 0.5994 0.5677 0.144 Uiso 0.80 1 calc PR B 2
C1_7 C -0.3884(5) 0.7086(5) 0.0184(3) 0.0520(16) Uani 1 1 d DU C 3
C2_7 C -0.3233(6) 0.7563(6) -0.0108(4) 0.076(2) Uani 1 1 d DU C 3
H2C_7 H -0.3028 0.7294 -0.0423 0.091 Uiso 1 1 calc R C 3
C3_7 C -0.2879(7) 0.8437(7) 0.0064(5) 0.103(3) Uani 1 1 d DU C 3
H3C_7 H -0.2433 0.8768 -0.0134 0.123 Uiso 1 1 calc R C 3
C4_7 C -0.3182(8) 0.8827(6) 0.0530(5) 0.102(3) Uani 1 1 d DU C 3
H4C_7 H -0.2918 0.9426 0.0660 0.123 Uiso 1 1 calc R C 3
C5_7 C -0.3848(7) 0.8356(5) 0.0794(4) 0.081(2) Uani 1 1 d DU C 3
H5C_7 H -0.4080 0.8623 0.1094 0.097 Uiso 1 1 calc R C 3
C6_7 C -0.4196(5) 0.7485(5) 0.0632(3) 0.0574(18) Uani 1 1 d DU C 3
H6C_7 H -0.4650 0.7160 0.0829 0.069 Uiso 1 1 calc R C 3
C11_7 C -0.4221(6) 0.6146(5) 0.0045(4) 0.073(2) Uani 1 1 d DU C 3
H11G_7 H -0.4032 0.5942 -0.0319 0.109 Uiso 1 1 calc R C 3
H11H_7 H -0.4916 0.5857 0.0003 0.109 Uiso 1 1 calc R C 3
H11I_7 H -0.3933 0.6028 0.0362 0.109 Uiso 1 1 calc R C 3
C1_8 C 0.354(2) 0.5158(19) 0.5554(13) 0.090(8) Uani 0.20 1 d PDU D 4
C2_8 C 0.329(2) 0.5309(19) 0.6101(13) 0.087(8) Uani 0.20 1 d PDU D 4
H2D_8 H 0.3567 0.5866 0.6362 0.105 Uiso 0.20 1 calc PR D 4
C3_8 C 0.263(2) 0.463(2) 0.6260(12) 0.071(6) Uani 0.20 1 d PDU D 4
H3D_8 H 0.2448 0.4732 0.6631 0.085 Uiso 0.20 1 calc PR D 4
C4_8 C 0.224(3) 0.382(2) 0.5885(15) 0.067(6) Uani 0.20 1 d PDU D 4
H4D_8 H 0.1809 0.3361 0.6006 0.081 Uiso 0.20 1 calc PR D 4
C5_8 C 0.246(3) 0.3671(19) 0.5335(16) 0.074(7) Uani 0.20 1 d PDU D 4
H5D_8 H 0.2187 0.3112 0.5078 0.089 Uiso 0.20 1 calc PR D 4
C6_8 C 0.309(3) 0.434(2) 0.5162(13) 0.083(8) Uani 0.20 1 d PDU D 4
H6D_8 H 0.3222 0.4247 0.4777 0.100 Uiso 0.20 1 calc PR D 4
C11_8 C 0.423(3) 0.589(3) 0.536(2) 0.111(13) Uani 0.20 1 d PDU D 4
H11J_8 H 0.4300 0.6428 0.5618 0.166 Uiso 0.20 1 calc PR D 4
H11K_8 H 0.3986 0.5832 0.4959 0.166 Uiso 0.20 1 calc PR D 4
H11L_8 H 0.4854 0.5895 0.5377 0.166 Uiso 0.20 1 calc PR D 4
C1_9 C 0.0663(19) 0.4985(19) 0.5385(13) 0.080(7) Uani 0.20 1 d PDU E -5
C2_9 C 0.096(2) 0.534(2) 0.4945(12) 0.081(7) Uani 0.20 1 d PDU E -5
H2E_9 H 0.0516 0.5411 0.4704 0.097 Uiso 0.20 1 calc PR E -5
C3_9 C 0.188(2) 0.560(2) 0.4848(14) 0.092(7) Uani 0.20 1 d PDU E -5
H3E_9 H 0.2064 0.5830 0.4534 0.110 Uiso 0.20 1 calc PR E -5
C4_9 C 0.254(2) 0.553(3) 0.5214(17) 0.094(7) Uani 0.20 1 d PDU E -5
H4E_9 H 0.3184 0.5743 0.5167 0.113 Uiso 0.20 1 calc PR E -5
C5_9 C 0.224(2) 0.514(3) 0.5650(16) 0.091(6) Uani 0.20 1 d PDU E -5
H5E_9 H 0.2686 0.5080 0.5897 0.109 Uiso 0.20 1 calc PR E -5
C6_9 C 0.129(2) 0.484(3) 0.5718(16) 0.085(7) Uani 0.20 1 d PDU E -5
H6E_9 H 0.1065 0.4530 0.5991 0.102 Uiso 0.20 1 calc PR E -5
C11_9 C -0.034(2) 0.474(3) 0.5505(17) 0.077(9) Uani 0.20 1 d PDU E -5
H11M_9 H -0.0722 0.4795 0.5198 0.116 Uiso 0.20 1 calc PR E -5
H11N_9 H -0.0323 0.5105 0.5883 0.116 Uiso 0.20 1 calc PR E -5
H11O_9 H -0.0637 0.4147 0.5513 0.116 Uiso 0.20 1 calc PR E -5
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 '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
_geom_angle_publ_flag
N34 Cu1 N03 144.26(18) . . ?
N34 Cu1 N323 104.84(19) . . ?
N03 Cu1 N323 99.42(19) . . ?
N34 Cu1 N036 95.87(19) . . ?
N03 Cu1 N036 97.80(19) . . ?
N323 Cu1 N036 113.98(17) . . ?
N14 Cu2 N33 176.7(2) . . ?
N14 Cu2 Cu3 84.10(15) . . ?
N33 Cu2 Cu3 96.44(14) . . ?
N23 Cu3 N04 175.4(2) . . ?
N23 Cu3 Cu2 81.72(15) . . ?
N04 Cu3 Cu2 96.12(15) . . ?
N13 Cu4 N24 122.20(17) . . ?
N13 Cu4 N136 105.8(2) . . ?
N24 Cu4 N136 111.08(19) . . ?
N13 Cu4 N223 109.73(19) . . ?
N24 Cu4 N223 105.7(2) . . ?
N136 Cu4 N223 100.17(16) . . ?
C05 C01 C02 104.1(5) . . ?
C05 C01 C06 128.7(5) . . ?
C02 C01 C06 126.9(5) . . ?
N03 C02 C01 110.0(5) . . ?
N03 C02 C025 120.5(5) . . ?
C01 C02 C025 129.5(6) . . ?
C02 N03 N04 107.8(5) . . ?
C02 N03 Cu1 131.7(4) . . ?
N04 N03 Cu1 119.6(4) . . ?
C05 N04 N03 109.1(5) . . ?
C05 N04 Cu3 135.4(4) . . ?
N03 N04 Cu3 113.6(4) . . ?
N04 C05 C01 108.9(5) . . ?
N04 C05 C012 120.3(5) . . ?
C01 C05 C012 130.7(6) . . ?
C011 C06 C07 117.3(6) . . ?
C011 C06 C01 122.1(5) . . ?
C07 C06 C01 120.6(5) . . ?
C08 C07 C06 120.3(6) . . ?
C08 C07 H07A 119.8 . . ?
C06 C07 H07A 119.8 . . ?
C09 C08 C07 120.5(6) . . ?
C09 C08 H08A 119.8 . . ?
C07 C08 H08A 119.8 . . ?
C08 C09 C010 119.9(7) . . ?
C08 C09 H09A 120.1 . . ?
C010 C09 H09A 120.1 . . ?
C09 C010 C011 121.0(6) . . ?
C09 C010 H01A 119.5 . . ?
C011 C010 H01A 119.5 . . ?
C010 C011 C06 120.9(6) . . ?
C010 C011 H01B 119.5 . . ?
C06 C011 H01B 119.5 . . ?
N013 C012 C05 114.9(5) . . ?
N013 C012 H01C 108.5 . . ?
C05 C012 H01C 108.5 . . ?
N013 C012 H01D 108.5 . . ?
C05 C012 H01D 108.5 . . ?
H01C C012 H01D 107.5 . . ?
C015 N013 C014 119.6(5) . . ?
C015 N013 C012 122.1(5) . . ?
C014 N013 C012 113.4(5) . . ?
N013 C014 H01E 109.5 . . ?
N013 C014 H01F 109.5 . . ?
H01E C014 H01F 109.5 . . ?
N013 C014 H01G 109.5 . . ?
H01E C014 H01G 109.5 . . ?
H01F C014 H01G 109.5 . . ?
N013 C015 C016 120.4(6) . . ?
N013 C015 C024 122.6(5) . . ?
C016 C015 C024 116.9(6) . . ?
C015 C016 C017 122.1(7) . . ?
C015 C016 H01H 119.0 . . ?
C017 C016 H01H 119.0 . . ?
C018 C017 C016 121.3(6) . . ?
C018 C017 H01I 119.4 . . ?
C016 C017 H01I 119.4 . . ?
C017 C018 C019 119.1(6) . . ?
C017 C018 H01J 120.5 . . ?
C019 C018 H01J 120.5 . . ?
C018 C019 C020 122.2(6) . . ?
C018 C019 C024 121.4(6) . . ?
C020 C019 C024 116.4(6) . . ?
C021 C020 C019 121.1(7) . . ?
C021 C020 H02A 119.5 . . ?
C019 C020 H02A 119.5 . . ?
C020 C021 C022 118.9(7) . . ?
C020 C021 H02B 120.6 . . ?
C022 C021 H02B 120.6 . . ?
N023 C022 C021 122.5(6) . . ?
N023 C022 H02C 118.8 . . ?
C021 C022 H02C 118.8 . . ?
C022 N023 C024 119.4(5) . . ?
N023 C024 C019 121.7(6) . . ?
N023 C024 C015 119.1(5) . . ?
C019 C024 C015 119.1(6) . . ?
N026 C025 C02 112.6(5) . . ?
N026 C025 H02E 109.1 . . ?
C02 C025 H02E 109.1 . . ?
N026 C025 H02F 109.1 . . ?
C02 C025 H02F 109.1 . . ?
H02E C025 H02F 107.8 . . ?
C028 N026 C027 118.1(5) . . ?
C028 N026 C025 115.1(5) . . ?
C027 N026 C025 111.5(5) . . ?
N026 C027 H02G 109.5 . . ?
N026 C027 H02H 109.5 . . ?
H02G C027 H02H 109.5 . . ?
N026 C027 H02I 109.5 . . ?
H02G C027 H02I 109.5 . . ?
H02H C027 H02I 109.5 . . ?
N026 C028 C029 122.6(5) . . ?
N026 C028 C037 119.9(5) . . ?
C029 C028 C037 117.4(6) . . ?
C030 C029 C028 121.0(6) . . ?
C030 C029 H02J 119.5 . . ?
C028 C029 H02J 119.5 . . ?
C031 C030 C029 122.1(6) . . ?
C031 C030 H03A 119.0 . . ?
C029 C030 H03A 119.0 . . ?
C030 C031 C032 119.2(6) . . ?
C030 C031 H03B 120.4 . . ?
C032 C031 H03B 120.4 . . ?
C033 C032 C031 122.4(6) . . ?
C033 C032 C037 118.1(6) . . ?
C031 C032 C037 119.5(6) . . ?
C034 C033 C032 119.0(6) . . ?
C034 C033 H03C 120.5 . . ?
C032 C033 H03C 120.5 . . ?
C033 C034 C035 119.1(6) . . ?
C033 C034 H03D 120.4 . . ?
C035 C034 H03D 120.4 . . ?
N036 C035 C034 123.8(6) . . ?
N036 C035 H03E 118.1 . . ?
C034 C035 H03E 118.1 . . ?
C035 N036 C037 118.4(5) . . ?
C035 N036 Cu1 110.4(4) . . ?
C037 N036 Cu1 123.0(4) . . ?
N036 C037 C032 121.1(5) . . ?
N036 C037 C028 118.5(5) . . ?
C032 C037 C028 120.3(5) . . ?
C15 C11 C12 104.5(5) . . ?
C15 C11 C16 127.4(5) . . ?
C12 C11 C16 128.1(5) . . ?
N13 C12 C11 110.2(5) . . ?
N13 C12 C125 117.1(5) . . ?
C11 C12 C125 132.5(6) . . ?
C12 N13 N14 107.8(5) . . ?
C12 N13 Cu4 130.4(4) . . ?
N14 N13 Cu4 121.7(4) . . ?
C15 N14 N13 108.3(5) . . ?
C15 N14 Cu2 133.5(4) . . ?
N13 N14 Cu2 117.6(4) . . ?
N14 C15 C11 109.1(5) . . ?
N14 C15 C112 119.8(5) . . ?
C11 C15 C112 131.1(6) . . ?
C111 C16 C17 118.9(6) . . ?
C111 C16 C11 121.0(5) . . ?
C17 C16 C11 120.1(5) . . ?
C18 C17 C16 121.3(6) . . ?
C18 C17 H17A 119.4 . . ?
C16 C17 H17A 119.4 . . ?
C19 C18 C17 119.5(6) . . ?
C19 C18 H18A 120.3 . . ?
C17 C18 H18A 120.3 . . ?
C18 C19 C110 119.6(6) . . ?
C18 C19 H19A 120.2 . . ?
C110 C19 H19A 120.2 . . ?
C19 C110 C111 120.6(6) . . ?
C19 C110 H11P 119.7 . . ?
C111 C110 H11P 119.7 . . ?
C16 C111 C110 120.1(6) . . ?
C16 C111 H11Q 119.9 . . ?
C110 C111 H11Q 119.9 . . ?
C15 C112 N113 112.4(5) . . ?
C15 C112 H11R 109.1 . . ?
N113 C112 H11R 109.1 . . ?
C15 C112 H11S 109.1 . . ?
N113 C112 H11S 109.1 . . ?
H11R C112 H11S 107.8 . . ?
C115 N113 C114 116.7(5) . . ?
C115 N113 C112 116.5(5) . . ?
C114 N113 C112 112.5(5) . . ?
N113 C114 H11T 109.5 . . ?
N113 C114 H11U 109.5 . . ?
H11T C114 H11U 109.5 . . ?
N113 C114 H11V 109.5 . . ?
H11T C114 H11V 109.5 . . ?
H11U C114 H11V 109.5 . . ?
C116 C115 N113 123.0(6) . . ?
C116 C115 C124 117.7(6) . . ?
N113 C115 C124 119.2(6) . . ?
C115 C116 C117 121.7(7) . . ?
C115 C116 H11W 119.1 . . ?
C117 C116 H11W 119.1 . . ?
C118 C117 C116 119.8(8) . . ?
C118 C117 H11X 120.1 . . ?
C116 C117 H11X 120.1 . . ?
C117 C118 C119 121.1(7) . . ?
C117 C118 H11Y 119.4 . . ?
C119 C118 H11Y 119.4 . . ?
C118 C119 C124 119.2(7) . . ?
C118 C119 C120 124.1(9) . . ?
C124 C119 C120 116.7(9) . . ?
C121 C120 C119 119.1(11) . . ?
C121 C120 H12A 120.4 . . ?
C119 C120 H12A 120.4 . . ?
C120 C121 C122 119.6(10) . . ?
C120 C121 H12B 120.2 . . ?
C122 C121 H12B 120.2 . . ?
N123 C122 C121 123.9(11) . . ?
N123 C122 H12C 118.1 . . ?
C121 C122 H12C 118.1 . . ?
C122 N123 C124 117.8(9) . . ?
N123 C124 C119 122.6(7) . . ?
N123 C124 C115 117.1(7) . . ?
C119 C124 C115 120.1(7) . . ?
N126 C125 C12 110.7(5) . . ?
N126 C125 H12E 109.5 . . ?
C12 C125 H12E 109.5 . . ?
N126 C125 H12F 109.5 . . ?
C12 C125 H12F 109.5 . . ?
H12E C125 H12F 108.1 . . ?
C128 N126 C127 117.5(5) . . ?
C128 N126 C125 118.5(5) . . ?
C127 N126 C125 110.2(5) . . ?
N126 C127 H12G 109.5 . . ?
N126 C127 H12H 109.5 . . ?
H12G C127 H12H 109.5 . . ?
N126 C127 H12I 109.5 . . ?
H12G C127 H12I 109.5 . . ?
H12H C127 H12I 109.5 . . ?
C129 C128 N126 122.7(6) . . ?
C129 C128 C137 116.9(6) . . ?
N126 C128 C137 120.3(5) . . ?
C128 C129 C130 123.5(6) . . ?
C128 C129 H12J 118.2 . . ?
C130 C129 H12J 118.2 . . ?
C131 C130 C129 119.7(6) . . ?
C131 C130 H13A 120.1 . . ?
C129 C130 H13A 120.1 . . ?
C130 C131 C132 119.5(6) . . ?
C130 C131 H13B 120.2 . . ?
C132 C131 H13B 120.2 . . ?
C131 C132 C133 120.7(6) . . ?
C131 C132 C137 120.2(6) . . ?
C133 C132 C137 119.1(6) . . ?
C134 C133 C132 119.6(6) . . ?
C134 C133 H13C 120.2 . . ?
C132 C133 H13C 120.2 . . ?
C133 C134 C135 118.8(6) . . ?
C133 C134 H13D 120.6 . . ?
C135 C134 H13D 120.6 . . ?
N136 C135 C134 123.6(6) . . ?
N136 C135 H13E 118.2 . . ?
C134 C135 H13E 118.2 . . ?
C135 N136 C137 118.9(5) . . ?
C135 N136 Cu4 107.6(4) . . ?
C137 N136 Cu4 125.4(4) . . ?
N136 C137 C128 120.9(5) . . ?
N136 C137 C132 119.4(5) . . ?
C128 C137 C132 119.7(6) . . ?
C25 C21 C22 104.3(5) . . ?
C25 C21 C26 127.7(5) . . ?
C22 C21 C26 128.0(5) . . ?
N23 C22 C21 109.3(5) . . ?
N23 C22 C225 118.7(5) . . ?
C21 C22 C225 132.0(6) . . ?
C22 N23 N24 108.5(4) . . ?
C22 N23 Cu3 131.0(4) . . ?
N24 N23 Cu3 119.5(4) . . ?
C25 N24 N23 107.3(5) . . ?
C25 N24 Cu4 130.1(4) . . ?
N23 N24 Cu4 122.6(4) . . ?
N24 C25 C21 110.6(5) . . ?
N24 C25 C212 116.9(5) . . ?
C21 C25 C212 132.4(5) . . ?
C27 C26 C211 117.2(6) . . ?
C27 C26 C21 121.7(5) . . ?
C211 C26 C21 121.1(5) . . ?
C26 C27 C28 120.5(6) . . ?
C26 C27 H27A 119.8 . . ?
C28 C27 H27A 119.8 . . ?
C29 C28 C27 121.4(7) . . ?
C29 C28 H28A 119.3 . . ?
C27 C28 H28A 119.3 . . ?
C28 C29 C210 118.3(7) . . ?
C28 C29 H29A 120.9 . . ?
C210 C29 H29A 120.9 . . ?
C211 C210 C29 120.9(6) . . ?
C211 C210 H21A 119.5 . . ?
C29 C210 H21A 119.5 . . ?
C210 C211 C26 121.5(6) . . ?
C210 C211 H21B 119.3 . . ?
C26 C211 H21B 119.3 . . ?
N213 C212 C25 111.6(5) . . ?
N213 C212 H21C 109.3 . . ?
C25 C212 H21C 109.3 . . ?
N213 C212 H21D 109.3 . . ?
C25 C212 H21D 109.3 . . ?
H21C C212 H21D 108.0 . . ?
C215 N213 C214 118.7(5) . . ?
C215 N213 C212 118.8(4) . . ?
C214 N213 C212 109.8(5) . . ?
N213 C214 H21E 109.5 . . ?
N213 C214 H21F 109.5 . . ?
H21E C214 H21F 109.5 . . ?
N213 C214 H21G 109.5 . . ?
H21E C214 H21G 109.5 . . ?
H21F C214 H21G 109.5 . . ?
C216 C215 N213 121.0(6) . . ?
C216 C215 C224 118.3(5) . . ?
N213 C215 C224 120.7(5) . . ?
C215 C216 C217 121.6(6) . . ?
C215 C216 H21H 119.2 . . ?
C217 C216 H21H 119.2 . . ?
C218 C217 C216 120.7(6) . . ?
C218 C217 H21I 119.6 . . ?
C216 C217 H21I 119.6 . . ?
C217 C218 C219 119.8(6) . . ?
C217 C218 H21J 120.1 . . ?
C219 C218 H21J 120.1 . . ?
C220 C219 C218 122.4(6) . . ?
C220 C219 C224 117.2(6) . . ?
C218 C219 C224 120.3(6) . . ?
C221 C220 C219 120.4(6) . . ?
C221 C220 H22A 119.8 . . ?
C219 C220 H22A 119.8 . . ?
C220 C221 C222 118.2(6) . . ?
C220 C221 H22B 120.9 . . ?
C222 C221 H22B 120.9 . . ?
N223 C222 C221 124.7(6) . . ?
N223 C222 H22C 117.7 . . ?
C221 C222 H22C 117.7 . . ?
C222 N223 C224 117.4(5) . . ?
C222 N223 Cu4 108.9(4) . . ?
C224 N223 Cu4 124.3(4) . . ?
N223 C224 C219 121.3(6) . . ?
N223 C224 C215 119.8(5) . . ?
C219 C224 C215 118.8(5) . . ?
N226 C225 C22 112.3(5) . . ?
N226 C225 H22D 109.1 . . ?
C22 C225 H22D 109.1 . . ?
N226 C225 H22E 109.1 . . ?
C22 C225 H22E 109.1 . . ?
H22D C225 H22E 107.9 . . ?
C228 N226 C225 115.6(5) . . ?
C228 N226 C227 114.0(5) . . ?
C225 N226 C227 110.9(5) . . ?
N226 C227 H22F 109.5 . . ?
N226 C227 H22G 109.5 . . ?
H22F C227 H22G 109.5 . . ?
N226 C227 H22H 109.5 . . ?
H22F C227 H22H 109.5 . . ?
H22G C227 H22H 109.5 . . ?
C229 C228 N226 123.5(5) . . ?
C229 C228 C237 117.3(5) . . ?
N226 C228 C237 119.2(5) . . ?
C228 C229 C230 121.7(6) . . ?
C228 C229 H22I 119.1 . . ?
C230 C229 H22I 119.1 . . ?
C231 C230 C229 121.5(6) . . ?
C231 C230 H23A 119.2 . . ?
C229 C230 H23A 119.2 . . ?
C230 C231 C232 119.3(6) . . ?
C230 C231 H23B 120.4 . . ?
C232 C231 H23B 120.4 . . ?
C237 C232 C233 118.0(6) . . ?
C237 C232 C231 120.0(6) . . ?
C233 C232 C231 121.9(6) . . ?
C234 C233 C232 119.6(6) . . ?
C234 C233 H23C 120.2 . . ?
C232 C233 H23C 120.2 . . ?
C233 C234 C235 118.3(6) . . ?
C233 C234 H23D 120.8 . . ?
C235 C234 H23D 120.8 . . ?
N236 C235 C234 124.7(7) . . ?
N236 C235 H23E 117.6 . . ?
C234 C235 H23E 117.6 . . ?
C235 N236 C237 117.9(5) . . ?
N236 C237 C232 121.4(6) . . ?
N236 C237 C228 118.4(5) . . ?
C232 C237 C228 120.0(6) . . ?
C32 C31 C35 104.0(5) . . ?
C32 C31 C36 127.2(5) . . ?
C35 C31 C36 128.7(5) . . ?
N33 C32 C31 109.7(5) . . ?
N33 C32 C325 119.8(5) . . ?
C31 C32 C325 130.4(5) . . ?
C32 N33 N34 109.0(5) . . ?
C32 N33 Cu2 136.8(4) . . ?
N34 N33 Cu2 114.2(3) . . ?
C35 N34 N33 107.2(5) . . ?
C35 N34 Cu1 132.1(4) . . ?
N33 N34 Cu1 120.6(4) . . ?
N34 C35 C31 110.0(5) . . ?
N34 C35 C312 119.5(5) . . ?
C31 C35 C312 130.4(5) . . ?
C37 C36 C311 117.6(5) . . ?
C37 C36 C31 121.9(5) . . ?
C311 C36 C31 120.4(5) . . ?
C36 C37 C38 120.8(6) . . ?
C36 C37 H37A 119.6 . . ?
C38 C37 H37A 119.6 . . ?
C39 C38 C37 120.1(6) . . ?
C39 C38 H38A 119.9 . . ?
C37 C38 H38A 119.9 . . ?
C310 C39 C38 119.7(6) . . ?
C310 C39 H39A 120.2 . . ?
C38 C39 H39A 120.2 . . ?
C39 C310 C311 121.3(6) . . ?
C39 C310 H31A 119.3 . . ?
C311 C310 H31A 119.3 . . ?
C310 C311 C36 120.3(6) . . ?
C310 C311 H31B 119.8 . . ?
C36 C311 H31B 119.8 . . ?
N313 C312 C35 111.6(5) . . ?
N313 C312 H31C 109.3 . . ?
C35 C312 H31C 109.3 . . ?
N313 C312 H31D 109.3 . . ?
C35 C312 H31D 109.3 . . ?
H31C C312 H31D 108.0 . . ?
C315 N313 C314 116.7(5) . . ?
C315 N313 C312 112.7(5) . . ?
C314 N313 C312 111.3(5) . . ?
N313 C314 H31E 109.5 . . ?
N313 C314 H31F 109.5 . . ?
H31E C314 H31F 109.5 . . ?
N313 C314 H31G 109.5 . . ?
H31E C314 H31G 109.5 . . ?
H31F C314 H31G 109.5 . . ?
C316 C315 N313 123.5(6) . . ?
C316 C315 C324 119.7(6) . . ?
N313 C315 C324 116.8(5) . . ?
C315 C316 C317 121.4(6) . . ?
C315 C316 H31H 119.3 . . ?
C317 C316 H31H 119.3 . . ?
C318 C317 C316 120.1(6) . . ?
C318 C317 H31I 119.9 . . ?
C316 C317 H31I 119.9 . . ?
C317 C318 C319 120.6(6) . . ?
C317 C318 H31J 119.7 . . ?
C319 C318 H31J 119.7 . . ?
C320 C319 C318 122.4(6) . . ?
C320 C319 C324 117.9(6) . . ?
C318 C319 C324 119.7(6) . . ?
C321 C320 C319 120.5(6) . . ?
C321 C320 H32A 119.8 . . ?
C319 C320 H32A 119.8 . . ?
C320 C321 C322 117.4(6) . . ?
C320 C321 H32B 121.3 . . ?
C322 C321 H32B 121.3 . . ?
N323 C322 C321 125.5(6) . . ?
N323 C322 H32C 117.3 . . ?
C321 C322 H32C 117.3 . . ?
C322 N323 C324 117.5(5) . . ?
C322 N323 Cu1 107.7(4) . . ?
C324 N323 Cu1 132.6(4) . . ?
N323 C324 C315 120.5(5) . . ?
N323 C324 C319 121.1(6) . . ?
C315 C324 C319 118.4(5) . . ?
N326 C325 C32 113.6(5) . . ?
N326 C325 H32D 108.8 . . ?
C32 C325 H32D 108.8 . . ?
N326 C325 H32E 108.8 . . ?
C32 C325 H32E 108.8 . . ?
H32D C325 H32E 107.7 . . ?
C328 N326 C327 117.3(5) . . ?
C328 N326 C325 121.0(5) . . ?
C327 N326 C325 113.7(5) . . ?
N326 C327 H32F 109.5 . . ?
N326 C327 H32G 109.5 . . ?
H32F C327 H32G 109.5 . . ?
N326 C327 H32H 109.5 . . ?
H32F C327 H32H 109.5 . . ?
H32G C327 H32H 109.5 . . ?
C329 C328 N326 121.7(6) . . ?
C329 C328 C337 117.2(6) . . ?
N326 C328 C337 120.9(6) . . ?
C328 C329 C330 123.2(7) . . ?
C328 C329 H32I 118.4 . . ?
C330 C329 H32I 118.4 . . ?
C331 C330 C329 119.7(7) . . ?
C331 C330 H33A 120.1 . . ?
C329 C330 H33A 120.1 . . ?
C330 C331 C332 120.2(7) . . ?
C330 C331 H33B 119.9 . . ?
C332 C331 H33B 119.9 . . ?
C331 C332 C333 122.3(7) . . ?
C331 C332 C337 119.9(7) . . ?
C333 C332 C337 117.7(7) . . ?
C334 C333 C332 120.1(7) . . ?
C334 C333 H33C 120.0 . . ?
C332 C333 H33C 120.0 . . ?
C333 C334 C335 118.9(7) . . ?
C333 C334 H33D 120.6 . . ?
C335 C334 H33D 120.6 . . ?
N336 C335 C334 124.1(7) . . ?
N336 C335 H33E 117.9 . . ?
C334 C335 H33E 117.9 . . ?
C335 N336 C337 118.9(6) . . ?
N336 C337 C328 120.0(6) . . ?
N336 C337 C332 120.3(6) . . ?
C328 C337 C332 119.7(6) . . ?
C6_5 C1_5 C2_5 119.2(8) . . ?
C6_5 C1_5 C11_5 121.0(9) . . ?
C2_5 C1_5 C11_5 119.7(9) . . ?
C3_5 C2_5 C1_5 121.3(8) . . ?
C3_5 C2_5 H2A_5 119.4 . . ?
C1_5 C2_5 H2A_5 119.4 . . ?
C2_5 C3_5 C4_5 120.0(9) . . ?
C2_5 C3_5 H3A_5 120.0 . . ?
C4_5 C3_5 H3A_5 120.0 . . ?
C3_5 C4_5 C5_5 118.3(9) . . ?
C3_5 C4_5 H4A_5 120.9 . . ?
C5_5 C4_5 H4A_5 120.9 . . ?
C6_5 C5_5 C4_5 122.0(9) . . ?
C6_5 C5_5 H5A_5 119.0 . . ?
C4_5 C5_5 H5A_5 119.0 . . ?
C1_5 C6_5 C5_5 119.2(9) . . ?
C1_5 C6_5 H6A_5 120.4 . . ?
C5_5 C6_5 H6A_5 120.4 . . ?
C6_6 C1_6 C2_6 119.2(9) . . ?
C6_6 C1_6 C11_6 121.4(9) . . ?
C2_6 C1_6 C11_6 119.4(10) . . ?
C1_6 C2_6 C3_6 119.2(9) . . ?
C1_6 C2_6 H2B_6 120.4 . . ?
C3_6 C2_6 H2B_6 120.4 . . ?
C4_6 C3_6 C2_6 120.0(9) . . ?
C4_6 C3_6 H3B_6 120.0 . . ?
C2_6 C3_6 H3B_6 120.0 . . ?
C3_6 C4_6 C5_6 120.1(9) . . ?
C3_6 C4_6 H4B_6 119.9 . . ?
C5_6 C4_6 H4B_6 119.9 . . ?
C6_6 C5_6 C4_6 121.2(10) . . ?
C6_6 C5_6 H5B_6 119.4 . . ?
C4_6 C5_6 H5B_6 119.4 . . ?
C5_6 C6_6 C1_6 120.2(9) . . ?
C5_6 C6_6 H6B_6 119.9 . . ?
C1_6 C6_6 H6B_6 119.9 . . ?
C1_6 C11_6 H11D_6 109.5 . . ?
C1_6 C11_6 H11E_6 109.5 . . ?
H11D_6 C11_6 H11E_6 109.5 . . ?
C1_6 C11_6 H11F_6 109.5 . . ?
H11D_6 C11_6 H11F_6 109.5 . . ?
H11E_6 C11_6 H11F_6 109.5 . . ?
C6_7 C1_7 C2_7 119.5(7) . . ?
C6_7 C1_7 C11_7 119.1(7) . . ?
C2_7 C1_7 C11_7 121.3(7) . . ?
C1_7 C2_7 C3_7 119.7(8) . . ?
C1_7 C2_7 H2C_7 120.2 . . ?
C3_7 C2_7 H2C_7 120.2 . . ?
C2_7 C3_7 C4_7 119.7(9) . . ?
C2_7 C3_7 H3C_7 120.1 . . ?
C4_7 C3_7 H3C_7 120.1 . . ?
C5_7 C4_7 C3_7 120.2(9) . . ?
C5_7 C4_7 H4C_7 119.9 . . ?
C3_7 C4_7 H4C_7 119.9 . . ?
C4_7 C5_7 C6_7 120.4(9) . . ?
C4_7 C5_7 H5C_7 119.8 . . ?
C6_7 C5_7 H5C_7 119.8 . . ?
C1_7 C6_7 C5_7 120.3(8) . . ?
C1_7 C6_7 H6C_7 119.9 . . ?
C5_7 C6_7 H6C_7 119.9 . . ?
C2_8 C1_8 C6_8 120.1(16) . . ?
C2_8 C1_8 C11_8 120.0(19) . . ?
C6_8 C1_8 C11_8 119.7(19) . . ?
C1_8 C2_8 C3_8 119.0(18) . . ?
C1_8 C2_8 H2D_8 120.5 . . ?
C3_8 C2_8 H2D_8 120.5 . . ?
C4_8 C3_8 C2_8 120.7(18) . . ?
C4_8 C3_8 H3D_8 119.7 . . ?
C2_8 C3_8 H3D_8 119.7 . . ?
C5_8 C4_8 C3_8 120.4(18) . . ?
C5_8 C4_8 H4D_8 119.8 . . ?
C3_8 C4_8 H4D_8 119.8 . . ?
C4_8 C5_8 C6_8 119.7(18) . . ?
C4_8 C5_8 H5D_8 120.2 . . ?
C6_8 C5_8 H5D_8 120.2 . . ?
C5_8 C6_8 C1_8 120.0(18) . . ?
C5_8 C6_8 H6D_8 120.0 . . ?
C1_8 C6_8 H6D_8 120.0 . . ?
C2_9 C1_9 C6_9 119.9(16) . . ?
C2_9 C1_9 C11_9 120.7(19) . . ?
C6_9 C1_9 C11_9 119.4(19) . . ?
C3_9 C2_9 C1_9 121.1(18) . . ?
C3_9 C2_9 H2E_9 119.4 . . ?
C1_9 C2_9 H2E_9 119.4 . . ?
C2_9 C3_9 C4_9 119.6(18) . . ?
C2_9 C3_9 H3E_9 120.2 . . ?
C4_9 C3_9 H3E_9 120.2 . . ?
C3_9 C4_9 C5_9 120.1(18) . . ?
C3_9 C4_9 H4E_9 120.0 . . ?
C5_9 C4_9 H4E_9 119.9 . . ?
C4_9 C5_9 C6_9 119.1(18) . . ?
C4_9 C5_9 H5E_9 120.4 . . ?
C6_9 C5_9 H5E_9 120.4 . . ?
C1_9 C6_9 C5_9 119.8(18) . . ?
C1_9 C6_9 H6E_9 120.1 . . ?
C5_9 C6_9 H6E_9 120.1 . . ?
C1_9 C11_9 H11M_9 109.5 . . ?
C1_9 C11_9 H11N_9 109.5 . . ?
H11M_9 C11_9 H11N_9 109.5 . . ?
C1_9 C11_9 H11O_9 109.5 . . ?
H11M_9 C11_9 H11O_9 109.5 . . ?
H11N_9 C11_9 H11O_9 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 N34 1.920(5) . ?
Cu1 N03 1.946(5) . ?
Cu1 N323 2.379(5) . ?
Cu1 N036 2.477(5) . ?
Cu2 N14 1.851(5) . ?
Cu2 N33 1.857(5) . ?
Cu2 Cu3 2.8212(10) . ?
Cu3 N23 1.855(5) . ?
Cu3 N04 1.867(5) . ?
Cu4 N13 1.959(5) . ?
Cu4 N24 1.964(5) . ?
Cu4 N136 2.179(5) . ?
Cu4 N223 2.188(5) . ?
C01 C05 1.406(8) . ?
C01 C02 1.418(8) . ?
C01 C06 1.461(8) . ?
C02 N03 1.337(8) . ?
C02 C025 1.506(8) . ?
N03 N04 1.375(7) . ?
N04 C05 1.351(7) . ?
C05 C012 1.495(8) . ?
C06 C011 1.405(8) . ?
C06 C07 1.417(8) . ?
C07 C08 1.400(9) . ?
C07 H07A 0.9500 . ?
C08 C09 1.370(9) . ?
C08 H08A 0.9500 . ?
C09 C010 1.374(10) . ?
C09 H09A 0.9500 . ?
C010 C011 1.380(9) . ?
C010 H01A 0.9500 . ?
C011 H01B 0.9500 . ?
C012 N013 1.485(7) . ?
C012 H01C 0.9900 . ?
C012 H01D 0.9900 . ?
N013 C015 1.376(8) . ?
N013 C014 1.460(8) . ?
C014 H01E 0.9800 . ?
C014 H01F 0.9800 . ?
C014 H01G 0.9800 . ?
C015 C016 1.401(8) . ?
C015 C024 1.434(8) . ?
C016 C017 1.405(8) . ?
C016 H01H 0.9500 . ?
C017 C018 1.354(9) . ?
C017 H01I 0.9500 . ?
C018 C019 1.397(8) . ?
C018 H01J 0.9500 . ?
C019 C020 1.420(9) . ?
C019 C024 1.427(8) . ?
C020 C021 1.346(9) . ?
C020 H02A 0.9500 . ?
C021 C022 1.416(8) . ?
C021 H02B 0.9500 . ?
C022 N023 1.322(8) . ?
C022 H02C 0.9500 . ?
N023 C024 1.363(8) . ?
C025 N026 1.477(7) . ?
C025 H02E 0.9900 . ?
C025 H02F 0.9900 . ?
N026 C028 1.393(7) . ?
N026 C027 1.450(7) . ?
C027 H02G 0.9800 . ?
C027 H02H 0.9800 . ?
C027 H02I 0.9800 . ?
C028 C029 1.406(8) . ?
C028 C037 1.432(8) . ?
C029 C030 1.395(8) . ?
C029 H02J 0.9500 . ?
C030 C031 1.366(9) . ?
C030 H03A 0.9500 . ?
C031 C032 1.421(8) . ?
C031 H03B 0.9500 . ?
C032 C033 1.409(8) . ?
C032 C037 1.422(8) . ?
C033 C034 1.373(8) . ?
C033 H03C 0.9500 . ?
C034 C035 1.394(8) . ?
C034 H03D 0.9500 . ?
C035 N036 1.317(7) . ?
C035 H03E 0.9500 . ?
N036 C037 1.373(8) . ?
C11 C15 1.395(8) . ?
C11 C12 1.399(8) . ?
C11 C16 1.484(9) . ?
C12 N13 1.347(8) . ?
C12 C125 1.497(8) . ?
N13 N14 1.369(6) . ?
N14 C15 1.366(8) . ?
C15 C112 1.483(8) . ?
C16 C111 1.380(8) . ?
C16 C17 1.391(8) . ?
C17 C18 1.388(9) . ?
C17 H17A 0.9500 . ?
C18 C19 1.385(9) . ?
C18 H18A 0.9500 . ?
C19 C110 1.385(9) . ?
C19 H19A 0.9500 . ?
C110 C111 1.394(9) . ?
C110 H11P 0.9500 . ?
C111 H11Q 0.9500 . ?
C112 N113 1.485(7) . ?
C112 H11R 0.9900 . ?
C112 H11S 0.9900 . ?
N113 C115 1.410(8) . ?
N113 C114 1.466(8) . ?
C114 H11T 0.9800 . ?
C114 H11U 0.9800 . ?
C114 H11V 0.9800 . ?
C115 C116 1.383(8) . ?
C115 C124 1.431(8) . ?
C116 C117 1.402(9) . ?
C116 H11W 0.9500 . ?
C117 C118 1.361(10) . ?
C117 H11X 0.9500 . ?
C118 C119 1.394(11) . ?
C118 H11Y 0.9500 . ?
C119 C124 1.409(10) . ?
C119 C120 1.418(11) . ?
C120 C121 1.360(13) . ?
C120 H12A 0.9500 . ?
C121 C122 1.387(13) . ?
C121 H12B 0.9500 . ?
C122 N123 1.307(10) . ?
C122 H12C 0.9500 . ?
N123 C124 1.366(10) . ?
C125 N126 1.468(7) . ?
C125 H12E 0.9900 . ?
C125 H12F 0.9900 . ?
N126 C128 1.396(8) . ?
N126 C127 1.455(8) . ?
C127 H12G 0.9800 . ?
C127 H12H 0.9800 . ?
C127 H12I 0.9800 . ?
C128 C129 1.376(8) . ?
C128 C137 1.425(8) . ?
C129 C130 1.411(8) . ?
C129 H12J 0.9500 . ?
C130 C131 1.365(8) . ?
C130 H13A 0.9500 . ?
C131 C132 1.410(8) . ?
C131 H13B 0.9500 . ?
C132 C133 1.415(8) . ?
C132 C137 1.427(8) . ?
C133 C134 1.353(8) . ?
C133 H13C 0.9500 . ?
C134 C135 1.409(8) . ?
C134 H13D 0.9500 . ?
C135 N136 1.327(8) . ?
C135 H13E 0.9500 . ?
N136 C137 1.383(8) . ?
C21 C25 1.394(8) . ?
C21 C22 1.406(8) . ?
C21 C26 1.479(8) . ?
C22 N23 1.351(7) . ?
C22 C225 1.495(8) . ?
N23 N24 1.382(6) . ?
N24 C25 1.347(7) . ?
C25 C212 1.496(8) . ?
C26 C27 1.387(9) . ?
C26 C211 1.396(8) . ?
C27 C28 1.397(10) . ?
C27 H27A 0.9500 . ?
C28 C29 1.368(10) . ?
C28 H28A 0.9500 . ?
C29 C210 1.378(9) . ?
C29 H29A 0.9500 . ?
C210 C211 1.378(9) . ?
C210 H21A 0.9500 . ?
C211 H21B 0.9500 . ?
C212 N213 1.474(7) . ?
C212 H21C 0.9900 . ?
C212 H21D 0.9900 . ?
N213 C215 1.402(7) . ?
N213 C214 1.450(8) . ?
C214 H21E 0.9800 . ?
C214 H21F 0.9800 . ?
C214 H21G 0.9800 . ?
C215 C216 1.378(8) . ?
C215 C224 1.445(9) . ?
C216 C217 1.423(9) . ?
C216 H21H 0.9500 . ?
C217 C218 1.353(9) . ?
C217 H21I 0.9500 . ?
C218 C219 1.417(9) . ?
C218 H21J 0.9500 . ?
C219 C220 1.415(9) . ?
C219 C224 1.424(8) . ?
C220 C221 1.347(9) . ?
C220 H22A 0.9500 . ?
C221 C222 1.398(9) . ?
C221 H22B 0.9500 . ?
C222 N223 1.323(8) . ?
C222 H22C 0.9500 . ?
N223 C224 1.370(7) . ?
C225 N226 1.475(8) . ?
C225 H22D 0.9900 . ?
C225 H22E 0.9900 . ?
N226 C228 1.408(7) . ?
N226 C227 1.476(8) . ?
C227 H22F 0.9800 . ?
C227 H22G 0.9800 . ?
C227 H22H 0.9800 . ?
C228 C229 1.386(8) . ?
C228 C237 1.449(8) . ?
C229 C230 1.401(8) . ?
C229 H22I 0.9500 . ?
C230 C231 1.360(9) . ?
C230 H23A 0.9500 . ?
C231 C232 1.421(9) . ?
C231 H23B 0.9500 . ?
C232 C237 1.405(8) . ?
C232 C233 1.409(9) . ?
C233 C234 1.369(10) . ?
C233 H23C 0.9500 . ?
C234 C235 1.375(9) . ?
C234 H23D 0.9500 . ?
C235 N236 1.321(8) . ?
C235 H23E 0.9500 . ?
N236 C237 1.366(8) . ?
C31 C32 1.408(8) . ?
C31 C35 1.414(8) . ?
C31 C36 1.464(8) . ?
C32 N33 1.339(7) . ?
C32 C325 1.502(8) . ?
N33 N34 1.385(6) . ?
N34 C35 1.354(7) . ?
C35 C312 1.482(8) . ?
C36 C37 1.399(8) . ?
C36 C311 1.416(8) . ?
C37 C38 1.410(9) . ?
C37 H37A 0.9500 . ?
C38 C39 1.377(10) . ?
C38 H38A 0.9500 . ?
C39 C310 1.375(10) . ?
C39 H39A 0.9500 . ?
C310 C311 1.386(9) . ?
C310 H31A 0.9500 . ?
C311 H31B 0.9500 . ?
C312 N313 1.474(7) . ?
C312 H31C 0.9900 . ?
C312 H31D 0.9900 . ?
N313 C315 1.425(7) . ?
N313 C314 1.460(7) . ?
C314 H31E 0.9800 . ?
C314 H31F 0.9800 . ?
C314 H31G 0.9800 . ?
C315 C316 1.364(8) . ?
C315 C324 1.431(8) . ?
C316 C317 1.412(9) . ?
C316 H31H 0.9500 . ?
C317 C318 1.365(9) . ?
C317 H31I 0.9500 . ?
C318 C319 1.404(9) . ?
C318 H31J 0.9500 . ?
C319 C320 1.397(9) . ?
C319 C324 1.433(8) . ?
C320 C321 1.361(9) . ?
C320 H32A 0.9500 . ?
C321 C322 1.407(8) . ?
C321 H32B 0.9500 . ?
C322 N323 1.308(8) . ?
C322 H32C 0.9500 . ?
N323 C324 1.373(8) . ?
C325 N326 1.480(7) . ?
C325 H32D 0.9900 . ?
C325 H32E 0.9900 . ?
N326 C328 1.396(8) . ?
N326 C327 1.453(8) . ?
C327 H32F 0.9800 . ?
C327 H32G 0.9800 . ?
C327 H32H 0.9800 . ?
C328 C329 1.381(9) . ?
C328 C337 1.427(9) . ?
C329 C330 1.411(9) . ?
C329 H32I 0.9500 . ?
C330 C331 1.359(10) . ?
C330 H33A 0.9500 . ?
C331 C332 1.408(10) . ?
C331 H33B 0.9500 . ?
C332 C333 1.430(10) . ?
C332 C337 1.431(9) . ?
C333 C334 1.349(11) . ?
C333 H33C 0.9500 . ?
C334 C335 1.402(10) . ?
C334 H33D 0.9500 . ?
C335 N336 1.319(8) . ?
C335 H33E 0.9500 . ?
N336 C337 1.383(8) . ?
C1_5 C6_5 1.379(11) . ?
C1_5 C2_5 1.391(11) . ?
C1_5 C11_5 1.537(11) . ?
C2_5 C3_5 1.374(11) . ?
C2_5 H2A_5 0.9500 . ?
C3_5 C4_5 1.385(11) . ?
C3_5 H3A_5 0.9500 . ?
C4_5 C5_5 1.388(11) . ?
C4_5 H4A_5 0.9500 . ?
C5_5 C6_5 1.382(11) . ?
C5_5 H5A_5 0.9500 . ?
C6_5 H6A_5 0.9500 . ?
C11_5 H11A_5 0.9800 . ?
C11_5 H11B_5 0.9800 . ?
C11_5 H11C_5 0.9800 . ?
C1_6 C6_6 1.385(12) . ?
C1_6 C2_6 1.397(12) . ?
C1_6 C11_6 1.542(12) . ?
C2_6 C3_6 1.407(11) . ?
C2_6 H2B_6 0.9500 . ?
C3_6 C4_6 1.356(11) . ?
C3_6 H3B_6 0.9500 . ?
C4_6 C5_6 1.371(11) . ?
C4_6 H4B_6 0.9500 . ?
C5_6 C6_6 1.360(11) . ?
C5_6 H5B_6 0.9500 . ?
C6_6 H6B_6 0.9500 . ?
C11_6 H11D_6 0.9800 . ?
C11_6 H11E_6 0.9800 . ?
C11_6 H11F_6 0.9800 . ?
C1_7 C6_7 1.385(9) . ?
C1_7 C2_7 1.385(9) . ?
C1_7 C11_7 1.509(9) . ?
C2_7 C3_7 1.391(11) . ?
C2_7 H2C_7 0.9500 . ?
C3_7 C4_7 1.397(12) . ?
C3_7 H3C_7 0.9500 . ?
C4_7 C5_7 1.349(11) . ?
C4_7 H4C_7 0.9500 . ?
C5_7 C6_7 1.387(10) . ?
C5_7 H5C_7 0.9500 . ?
C6_7 H6C_7 0.9500 . ?
C11_7 H11G_7 0.9800 . ?
C11_7 H11H_7 0.9800 . ?
C11_7 H11I_7 0.9800 . ?
C1_8 C2_8 1.390(17) . ?
C1_8 C6_8 1.401(17) . ?
C1_8 C11_8 1.529(17) . ?
C2_8 C3_8 1.391(17) . ?
C2_8 H2D_8 0.9500 . ?
C3_8 C4_8 1.383(18) . ?
C3_8 H3D_8 0.9500 . ?
C4_8 C5_8 1.382(18) . ?
C4_8 H4D_8 0.9500 . ?
C5_8 C6_8 1.386(17) . ?
C5_8 H5D_8 0.9500 . ?
C6_8 H6D_8 0.9500 . ?
C11_8 H11J_8 0.9800 . ?
C11_8 H11K_8 0.9800 . ?
C11_8 H11L_8 0.9800 . ?
C1_9 C2_9 1.377(17) . ?
C1_9 C6_9 1.391(17) . ?
C1_9 C11_9 1.520(17) . ?
C2_9 C3_9 1.375(17) . ?
C2_9 H2E_9 0.9500 . ?
C3_9 C4_9 1.397(18) . ?
C3_9 H3E_9 0.9500 . ?
C4_9 C5_9 1.399(18) . ?
C4_9 H4E_9 0.9500 . ?
C5_9 C6_9 1.404(17) . ?
C5_9 H5E_9 0.9500 . ?
C6_9 H6E_9 0.9500 . ?
C11_9 H11M_9 0.9800 . ?
C11_9 H11N_9 0.9800 . ?
C11_9 H11O_9 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N14 Cu2 Cu3 N23 -124.06(18) . . . . ?
N33 Cu2 Cu3 N23 59.2(2) . . . . ?
N14 Cu2 Cu3 N04 60.1(2) . . . . ?
N33 Cu2 Cu3 N04 -116.68(19) . . . . ?
C05 C01 C02 N03 -1.2(6) . . . . ?
C06 C01 C02 N03 173.0(5) . . . . ?
C05 C01 C02 C025 179.0(6) . . . . ?
C06 C01 C02 C025 -6.8(10) . . . . ?
C01 C02 N03 N04 0.0(6) . . . . ?
C025 C02 N03 N04 179.9(5) . . . . ?
C01 C02 N03 Cu1 -168.8(4) . . . . ?
C025 C02 N03 Cu1 11.0(8) . . . . ?
N34 Cu1 N03 C02 133.9(5) . . . . ?
N323 Cu1 N03 C02 -93.6(5) . . . . ?
N036 Cu1 N03 C02 22.4(5) . . . . ?
N34 Cu1 N03 N04 -33.9(6) . . . . ?
N323 Cu1 N03 N04 98.6(4) . . . . ?
N036 Cu1 N03 N04 -145.4(4) . . . . ?
C02 N03 N04 C05 1.2(6) . . . . ?
Cu1 N03 N04 C05 171.7(4) . . . . ?
C02 N03 N04 Cu3 -165.7(4) . . . . ?
Cu1 N03 N04 Cu3 4.7(5) . . . . ?
N23 Cu3 N04 C05 -170(2) . . . . ?
Cu2 Cu3 N04 C05 -107.6(5) . . . . ?
N23 Cu3 N04 N03 -7(3) . . . . ?
Cu2 Cu3 N04 N03 54.7(4) . . . . ?
N03 N04 C05 C01 -2.0(6) . . . . ?
Cu3 N04 C05 C01 160.9(4) . . . . ?
N03 N04 C05 C012 -178.3(5) . . . . ?
Cu3 N04 C05 C012 -15.4(8) . . . . ?
C02 C01 C05 N04 1.9(6) . . . . ?
C06 C01 C05 N04 -172.2(5) . . . . ?
C02 C01 C05 C012 177.7(5) . . . . ?
C06 C01 C05 C012 3.6(10) . . . . ?
C05 C01 C06 C011 -45.1(9) . . . . ?
C02 C01 C06 C011 142.1(6) . . . . ?
C05 C01 C06 C07 131.3(6) . . . . ?
C02 C01 C06 C07 -41.4(8) . . . . ?
C011 C06 C07 C08 0.7(9) . . . . ?
C01 C06 C07 C08 -175.9(6) . . . . ?
C06 C07 C08 C09 2.1(10) . . . . ?
C07 C08 C09 C010 -2.5(10) . . . . ?
C08 C09 C010 C011 0.0(10) . . . . ?
C09 C010 C011 C06 2.9(9) . . . . ?
C07 C06 C011 C010 -3.2(8) . . . . ?
C01 C06 C011 C010 173.4(5) . . . . ?
N04 C05 C012 N013 -91.7(6) . . . . ?
C01 C05 C012 N013 92.9(7) . . . . ?
C05 C012 N013 C015 -106.1(6) . . . . ?
C05 C012 N013 C014 49.0(7) . . . . ?
C014 N013 C015 C016 -15.5(8) . . . . ?
C012 N013 C015 C016 138.1(6) . . . . ?
C014 N013 C015 C024 161.9(5) . . . . ?
C012 N013 C015 C024 -44.6(8) . . . . ?
N013 C015 C016 C017 -179.7(6) . . . . ?
C024 C015 C016 C017 2.8(9) . . . . ?
C015 C016 C017 C018 0.5(10) . . . . ?
C016 C017 C018 C019 -2.2(10) . . . . ?
C017 C018 C019 C020 -177.1(6) . . . . ?
C017 C018 C019 C024 0.5(10) . . . . ?
C018 C019 C020 C021 174.8(7) . . . . ?
C024 C019 C020 C021 -2.8(10) . . . . ?
C019 C020 C021 C022 0.8(10) . . . . ?
C020 C021 C022 N023 -0.1(10) . . . . ?
C021 C022 N023 C024 1.6(9) . . . . ?
C022 N023 C024 C019 -3.8(9) . . . . ?
C022 N023 C024 C015 180.0(5) . . . . ?
C018 C019 C024 N023 -173.3(6) . . . . ?
C020 C019 C024 N023 4.3(9) . . . . ?
C018 C019 C024 C015 3.0(9) . . . . ?
C020 C019 C024 C015 -179.4(6) . . . . ?
N013 C015 C024 N023 -5.5(9) . . . . ?
C016 C015 C024 N023 171.9(5) . . . . ?
N013 C015 C024 C019 178.1(6) . . . . ?
C016 C015 C024 C019 -4.5(8) . . . . ?
N03 C02 C025 N026 38.7(7) . . . . ?
C01 C02 C025 N026 -141.5(6) . . . . ?
C02 C025 N026 C028 -142.3(5) . . . . ?
C02 C025 N026 C027 79.7(6) . . . . ?
C027 N026 C028 C029 10.3(9) . . . . ?
C025 N026 C028 C029 -124.8(6) . . . . ?
C027 N026 C028 C037 -165.9(6) . . . . ?
C025 N026 C028 C037 59.0(7) . . . . ?
N026 C028 C029 C030 177.3(6) . . . . ?
C037 C028 C029 C030 -6.4(10) . . . . ?
C028 C029 C030 C031 -0.6(11) . . . . ?
C029 C030 C031 C032 4.8(11) . . . . ?
C030 C031 C032 C033 176.3(6) . . . . ?
C030 C031 C032 C037 -1.8(10) . . . . ?
C031 C032 C033 C034 -174.3(6) . . . . ?
C037 C032 C033 C034 3.8(10) . . . . ?
C032 C033 C034 C035 2.1(10) . . . . ?
C033 C034 C035 N036 -5.1(10) . . . . ?
C034 C035 N036 C037 1.7(9) . . . . ?
C034 C035 N036 Cu1 151.3(5) . . . . ?
N34 Cu1 N036 C035 -24.6(4) . . . . ?
N03 Cu1 N036 C035 122.3(4) . . . . ?
N323 Cu1 N036 C035 -133.7(4) . . . . ?
N34 Cu1 N036 C037 123.3(5) . . . . ?
N03 Cu1 N036 C037 -89.8(5) . . . . ?
N323 Cu1 N036 C037 14.2(5) . . . . ?
C035 N036 C037 C032 4.6(9) . . . . ?
Cu1 N036 C037 C032 -141.0(5) . . . . ?
C035 N036 C037 C028 -179.1(6) . . . . ?
Cu1 N036 C037 C028 35.3(7) . . . . ?
C033 C032 C037 N036 -7.3(9) . . . . ?
C031 C032 C037 N036 170.9(6) . . . . ?
C033 C032 C037 C028 176.5(6) . . . . ?
C031 C032 C037 C028 -5.3(9) . . . . ?
N026 C028 C037 N036 9.4(9) . . . . ?
C029 C028 C037 N036 -167.0(6) . . . . ?
N026 C028 C037 C032 -174.3(6) . . . . ?
C029 C028 C037 C032 9.3(9) . . . . ?
C15 C11 C12 N13 0.2(6) . . . . ?
C16 C11 C12 N13 179.0(5) . . . . ?
C15 C11 C12 C125 175.2(6) . . . . ?
C16 C11 C12 C125 -6.0(11) . . . . ?
C11 C12 N13 N14 -0.1(6) . . . . ?
C125 C12 N13 N14 -176.0(5) . . . . ?
C11 C12 N13 Cu4 175.9(4) . . . . ?
C125 C12 N13 Cu4 0.1(8) . . . . ?
N24 Cu4 N13 C12 147.8(5) . . . . ?
N136 Cu4 N13 C12 19.5(5) . . . . ?
N223 Cu4 N13 C12 -87.8(5) . . . . ?
N24 Cu4 N13 N14 -36.7(5) . . . . ?
N136 Cu4 N13 N14 -165.0(4) . . . . ?
N223 Cu4 N13 N14 87.8(4) . . . . ?
C12 N13 N14 C15 -0.1(6) . . . . ?
Cu4 N13 N14 C15 -176.5(4) . . . . ?
C12 N13 N14 Cu2 -172.6(4) . . . . ?
Cu4 N13 N14 Cu2 10.9(5) . . . . ?
N33 Cu2 N14 C15 -10(4) . . . . ?
Cu3 Cu2 N14 C15 -110.0(5) . . . . ?
N33 Cu2 N14 N13 160(3) . . . . ?
Cu3 Cu2 N14 N13 60.3(4) . . . . ?
N13 N14 C15 C11 0.2(6) . . . . ?
Cu2 N14 C15 C11 171.1(4) . . . . ?
N13 N14 C15 C112 -179.7(5) . . . . ?
Cu2 N14 C15 C112 -8.7(8) . . . . ?
C12 C11 C15 N14 -0.2(6) . . . . ?
C16 C11 C15 N14 -179.0(5) . . . . ?
C12 C11 C15 C112 179.6(6) . . . . ?
C16 C11 C15 C112 0.8(10) . . . . ?
C15 C11 C16 C111 -41.8(9) . . . . ?
C12 C11 C16 C111 139.7(6) . . . . ?
C15 C11 C16 C17 139.7(6) . . . . ?
C12 C11 C16 C17 -38.8(9) . . . . ?
C111 C16 C17 C18 -2.0(9) . . . . ?
C11 C16 C17 C18 176.5(6) . . . . ?
C16 C17 C18 C19 1.7(9) . . . . ?
C17 C18 C19 C110 0.7(10) . . . . ?
C18 C19 C110 C111 -2.7(10) . . . . ?
C17 C16 C111 C110 0.0(9) . . . . ?
C11 C16 C111 C110 -178.4(6) . . . . ?
C19 C110 C111 C16 2.3(10) . . . . ?
N14 C15 C112 N113 -96.5(6) . . . . ?
C11 C15 C112 N113 83.7(8) . . . . ?
C15 C112 N113 C115 -166.7(5) . . . . ?
C15 C112 N113 C114 54.7(7) . . . . ?
C114 N113 C115 C116 124.4(7) . . . . ?
C112 N113 C115 C116 -12.4(9) . . . . ?
C114 N113 C115 C124 -60.1(8) . . . . ?
C112 N113 C115 C124 163.2(6) . . . . ?
N113 C115 C116 C117 179.9(6) . . . . ?
C124 C115 C116 C117 4.3(10) . . . . ?
C115 C116 C117 C118 0.9(11) . . . . ?
C116 C117 C118 C119 -5.3(11) . . . . ?
C117 C118 C119 C124 4.1(11) . . . . ?
C117 C118 C119 C120 -175.6(8) . . . . ?
C118 C119 C120 C121 174.0(9) . . . . ?
C124 C119 C120 C121 -5.7(13) . . . . ?
C119 C120 C121 C122 2.3(15) . . . . ?
C120 C121 C122 N123 1.2(15) . . . . ?
C121 C122 N123 C124 -0.9(12) . . . . ?
C122 N123 C124 C119 -2.9(10) . . . . ?
C122 N123 C124 C115 -177.9(7) . . . . ?
C118 C119 C124 N123 -173.5(7) . . . . ?
C120 C119 C124 N123 6.1(11) . . . . ?
C118 C119 C124 C115 1.3(11) . . . . ?
C120 C119 C124 C115 -179.0(7) . . . . ?
C116 C115 C124 N123 169.8(6) . . . . ?
N113 C115 C124 N123 -6.0(9) . . . . ?
C116 C115 C124 C119 -5.4(10) . . . . ?
N113 C115 C124 C119 178.8(6) . . . . ?
N13 C12 C125 N126 60.0(7) . . . . ?
C11 C12 C125 N126 -114.7(7) . . . . ?
C12 C125 N126 C128 -144.4(5) . . . . ?
C12 C125 N126 C127 76.3(6) . . . . ?
C127 N126 C128 C129 8.0(9) . . . . ?
C125 N126 C128 C129 -128.4(6) . . . . ?
C127 N126 C128 C137 -168.4(6) . . . . ?
C125 N126 C128 C137 55.1(8) . . . . ?
N126 C128 C129 C130 -179.9(6) . . . . ?
C137 C128 C129 C130 -3.3(10) . . . . ?
C128 C129 C130 C131 0.0(11) . . . . ?
C129 C130 C131 C132 -0.1(10) . . . . ?
C130 C131 C132 C133 -177.0(6) . . . . ?
C130 C131 C132 C137 3.7(10) . . . . ?
C131 C132 C133 C134 -178.9(6) . . . . ?
C137 C132 C133 C134 0.5(9) . . . . ?
C132 C133 C134 C135 3.5(9) . . . . ?
C133 C134 C135 N136 -1.6(10) . . . . ?
C134 C135 N136 C137 -4.5(9) . . . . ?
C134 C135 N136 Cu4 145.9(6) . . . . ?
N13 Cu4 N136 C135 127.5(4) . . . . ?
N24 Cu4 N136 C135 -7.1(4) . . . . ?
N223 Cu4 N136 C135 -118.5(4) . . . . ?
N13 Cu4 N136 C137 -84.6(5) . . . . ?
N24 Cu4 N136 C137 140.8(5) . . . . ?
N223 Cu4 N136 C137 29.5(5) . . . . ?
C135 N136 C137 C128 -171.7(6) . . . . ?
Cu4 N136 C137 C128 43.6(8) . . . . ?
C135 N136 C137 C132 8.4(8) . . . . ?
Cu4 N136 C137 C132 -136.3(5) . . . . ?
C129 C128 C137 N136 -173.2(6) . . . . ?
N126 C128 C137 N136 3.4(9) . . . . ?
C129 C128 C137 C132 6.7(9) . . . . ?
N126 C128 C137 C132 -176.6(5) . . . . ?
C131 C132 C137 N136 172.9(6) . . . . ?
C133 C132 C137 N136 -6.5(9) . . . . ?
C131 C132 C137 C128 -7.1(9) . . . . ?
C133 C132 C137 C128 173.6(6) . . . . ?
C25 C21 C22 N23 2.0(6) . . . . ?
C26 C21 C22 N23 -177.2(5) . . . . ?
C25 C21 C22 C225 -178.9(6) . . . . ?
C26 C21 C22 C225 2.0(10) . . . . ?
C21 C22 N23 N24 -2.0(6) . . . . ?
C225 C22 N23 N24 178.7(5) . . . . ?
C21 C22 N23 Cu3 166.1(4) . . . . ?
C225 C22 N23 Cu3 -13.2(8) . . . . ?
N04 Cu3 N23 C22 -45(3) . . . . ?
Cu2 Cu3 N23 C22 -108.0(5) . . . . ?
N04 Cu3 N23 N24 122(2) . . . . ?
Cu2 Cu3 N23 N24 59.1(4) . . . . ?
C22 N23 N24 C25 1.3(6) . . . . ?
Cu3 N23 N24 C25 -168.5(4) . . . . ?
C22 N23 N24 Cu4 178.3(4) . . . . ?
Cu3 N23 N24 Cu4 8.5(6) . . . . ?
N13 Cu4 N24 C25 143.5(4) . . . . ?
N136 Cu4 N24 C25 -90.5(5) . . . . ?
N223 Cu4 N24 C25 17.3(5) . . . . ?
N13 Cu4 N24 N23 -32.7(5) . . . . ?
N136 Cu4 N24 N23 93.2(4) . . . . ?
N223 Cu4 N24 N23 -159.0(4) . . . . ?
N23 N24 C25 C21 0.0(6) . . . . ?
Cu4 N24 C25 C21 -176.7(4) . . . . ?
N23 N24 C25 C212 -177.6(5) . . . . ?
Cu4 N24 C25 C212 5.7(7) . . . . ?
C22 C21 C25 N24 -1.2(6) . . . . ?
C26 C21 C25 N24 177.9(5) . . . . ?
C22 C21 C25 C212 175.9(6) . . . . ?
C26 C21 C25 C212 -5.0(10) . . . . ?
C25 C21 C26 C27 149.2(7) . . . . ?
C22 C21 C26 C27 -31.9(10) . . . . ?
C25 C21 C26 C211 -31.7(9) . . . . ?
C22 C21 C26 C211 147.2(6) . . . . ?
C211 C26 C27 C28 -3.2(11) . . . . ?
C21 C26 C27 C28 176.0(7) . . . . ?
C26 C27 C28 C29 5.7(13) . . . . ?
C27 C28 C29 C210 -4.9(13) . . . . ?
C28 C29 C210 C211 1.8(12) . . . . ?
C29 C210 C211 C26 0.5(10) . . . . ?
C27 C26 C211 C210 0.1(9) . . . . ?
C21 C26 C211 C210 -179.0(6) . . . . ?
N24 C25 C212 N213 55.1(7) . . . . ?
C21 C25 C212 N213 -121.9(6) . . . . ?
C25 C212 N213 C215 -142.9(5) . . . . ?
C25 C212 N213 C214 75.9(6) . . . . ?
C214 N213 C215 C216 9.2(8) . . . . ?
C212 N213 C215 C216 -128.6(6) . . . . ?
C214 N213 C215 C224 -169.3(5) . . . . ?
C212 N213 C215 C224 52.9(7) . . . . ?
N213 C215 C216 C217 -178.8(6) . . . . ?
C224 C215 C216 C217 -0.2(9) . . . . ?
C215 C216 C217 C218 -4.3(10) . . . . ?
C216 C217 C218 C219 4.4(10) . . . . ?
C217 C218 C219 C220 -178.9(6) . . . . ?
C217 C218 C219 C224 0.0(10) . . . . ?
C218 C219 C220 C221 -179.9(6) . . . . ?
C224 C219 C220 C221 1.3(9) . . . . ?
C219 C220 C221 C222 5.1(10) . . . . ?
C220 C221 C222 N223 -5.1(10) . . . . ?
C221 C222 N223 C224 -2.0(9) . . . . ?
C221 C222 N223 Cu4 146.1(5) . . . . ?
N13 Cu4 N223 C222 -5.7(5) . . . . ?
N24 Cu4 N223 C222 127.9(4) . . . . ?
N136 Cu4 N223 C222 -116.6(4) . . . . ?
N13 Cu4 N223 C224 139.7(5) . . . . ?
N24 Cu4 N223 C224 -86.7(5) . . . . ?
N136 Cu4 N223 C224 28.7(5) . . . . ?
C222 N223 C224 C219 8.9(9) . . . . ?
Cu4 N223 C224 C219 -133.9(5) . . . . ?
C222 N223 C224 C215 -174.2(5) . . . . ?
Cu4 N223 C224 C215 43.0(7) . . . . ?
C220 C219 C224 N223 -8.5(9) . . . . ?
C218 C219 C224 N223 172.6(6) . . . . ?
C220 C219 C224 C215 174.5(6) . . . . ?
C218 C219 C224 C215 -4.4(9) . . . . ?
C216 C215 C224 N223 -172.6(6) . . . . ?
N213 C215 C224 N223 6.0(8) . . . . ?
C216 C215 C224 C219 4.4(8) . . . . ?
N213 C215 C224 C219 -177.0(5) . . . . ?
N23 C22 C225 N226 -94.3(6) . . . . ?
C21 C22 C225 N226 86.6(8) . . . . ?
C22 C225 N226 C228 -175.5(5) . . . . ?
C22 C225 N226 C227 52.8(7) . . . . ?
C225 N226 C228 C229 -8.6(8) . . . . ?
C227 N226 C228 C229 121.6(7) . . . . ?
C225 N226 C228 C237 169.6(5) . . . . ?
C227 N226 C228 C237 -60.2(7) . . . . ?
N226 C228 C229 C230 -179.3(6) . . . . ?
C237 C228 C229 C230 2.4(9) . . . . ?
C228 C229 C230 C231 1.6(10) . . . . ?
C229 C230 C231 C232 -3.3(10) . . . . ?
C230 C231 C232 C237 0.8(10) . . . . ?
C230 C231 C232 C233 -175.2(6) . . . . ?
C237 C232 C233 C234 -3.0(9) . . . . ?
C231 C232 C233 C234 173.1(6) . . . . ?
C232 C233 C234 C235 0.2(10) . . . . ?
C233 C234 C235 N236 3.4(10) . . . . ?
C234 C235 N236 C237 -3.6(10) . . . . ?
C235 N236 C237 C232 0.4(9) . . . . ?
C235 N236 C237 C228 -176.3(6) . . . . ?
C233 C232 C237 N236 2.8(9) . . . . ?
C231 C232 C237 N236 -173.4(6) . . . . ?
C233 C232 C237 C228 179.5(6) . . . . ?
C231 C232 C237 C228 3.3(9) . . . . ?
C229 C228 C237 N236 172.0(6) . . . . ?
N226 C228 C237 N236 -6.4(8) . . . . ?
C229 C228 C237 C232 -4.8(9) . . . . ?
N226 C228 C237 C232 176.9(5) . . . . ?
C35 C31 C32 N33 -2.1(6) . . . . ?
C36 C31 C32 N33 175.4(5) . . . . ?
C35 C31 C32 C325 -179.7(6) . . . . ?
C36 C31 C32 C325 -2.2(10) . . . . ?
C31 C32 N33 N34 2.1(6) . . . . ?
C325 C32 N33 N34 180.0(5) . . . . ?
C31 C32 N33 Cu2 -178.3(4) . . . . ?
C325 C32 N33 Cu2 -0.3(9) . . . . ?
N14 Cu2 N33 C32 134(3) . . . . ?
Cu3 Cu2 N33 C32 -126.1(5) . . . . ?
N14 Cu2 N33 N34 -46(4) . . . . ?
Cu3 Cu2 N33 N34 53.6(4) . . . . ?
C32 N33 N34 C35 -1.2(6) . . . . ?
Cu2 N33 N34 C35 179.1(4) . . . . ?
C32 N33 N34 Cu1 -177.1(4) . . . . ?
Cu2 N33 N34 Cu1 3.2(5) . . . . ?
N03 Cu1 N34 C35 160.8(4) . . . . ?
N323 Cu1 N34 C35 29.6(6) . . . . ?
N036 Cu1 N34 C35 -87.1(5) . . . . ?
N03 Cu1 N34 N33 -24.5(6) . . . . ?
N323 Cu1 N34 N33 -155.6(4) . . . . ?
N036 Cu1 N34 N33 87.7(4) . . . . ?
N33 N34 C35 C31 -0.2(6) . . . . ?
Cu1 N34 C35 C31 175.1(4) . . . . ?
N33 N34 C35 C312 175.4(5) . . . . ?
Cu1 N34 C35 C312 -9.4(8) . . . . ?
C32 C31 C35 N34 1.3(6) . . . . ?
C36 C31 C35 N34 -176.1(5) . . . . ?
C32 C31 C35 C312 -173.6(6) . . . . ?
C36 C31 C35 C312 9.0(10) . . . . ?
C32 C31 C36 C37 53.4(8) . . . . ?
C35 C31 C36 C37 -129.7(6) . . . . ?
C32 C31 C36 C311 -124.6(6) . . . . ?
C35 C31 C36 C311 52.3(9) . . . . ?
C311 C36 C37 C38 2.6(8) . . . . ?
C31 C36 C37 C38 -175.4(5) . . . . ?
C36 C37 C38 C39 -0.5(9) . . . . ?
C37 C38 C39 C310 -2.7(10) . . . . ?
C38 C39 C310 C311 3.7(10) . . . . ?
C39 C310 C311 C36 -1.5(9) . . . . ?
C37 C36 C311 C310 -1.6(8) . . . . ?
C31 C36 C311 C310 176.4(5) . . . . ?
N34 C35 C312 N313 53.2(7) . . . . ?
C31 C35 C312 N313 -132.3(6) . . . . ?
C35 C312 N313 C315 -151.5(5) . . . . ?
C35 C312 N313 C314 75.2(6) . . . . ?
C314 N313 C315 C316 24.2(8) . . . . ?
C312 N313 C315 C316 -106.5(7) . . . . ?
C314 N313 C315 C324 -154.9(6) . . . . ?
C312 N313 C315 C324 74.4(7) . . . . ?
N313 C315 C316 C317 177.4(5) . . . . ?
C324 C315 C316 C317 -3.6(9) . . . . ?
C315 C316 C317 C318 0.4(10) . . . . ?
C316 C317 C318 C319 2.1(10) . . . . ?
C317 C318 C319 C320 178.5(6) . . . . ?
C317 C318 C319 C324 -1.4(9) . . . . ?
C318 C319 C320 C321 -178.8(6) . . . . ?
C324 C319 C320 C321 1.1(9) . . . . ?
C319 C320 C321 C322 1.2(10) . . . . ?
C320 C321 C322 N323 -1.3(10) . . . . ?
C321 C322 N323 C324 -1.1(9) . . . . ?
C321 C322 N323 Cu1 163.9(5) . . . . ?
N34 Cu1 N323 C322 128.1(4) . . . . ?
N03 Cu1 N323 C322 -25.4(4) . . . . ?
N036 Cu1 N323 C322 -128.4(4) . . . . ?
N34 Cu1 N323 C324 -70.0(6) . . . . ?
N03 Cu1 N323 C324 136.4(5) . . . . ?
N036 Cu1 N323 C324 33.5(6) . . . . ?
C322 N323 C324 C315 -178.4(5) . . . . ?
Cu1 N323 C324 C315 21.2(9) . . . . ?
C322 N323 C324 C319 3.5(9) . . . . ?
Cu1 N323 C324 C319 -156.9(4) . . . . ?
C316 C315 C324 N323 -174.0(6) . . . . ?
N313 C315 C324 N323 5.2(8) . . . . ?
C316 C315 C324 C319 4.2(9) . . . . ?
N313 C315 C324 C319 -176.7(5) . . . . ?
C320 C319 C324 N323 -3.6(9) . . . . ?
C318 C319 C324 N323 176.4(6) . . . . ?
C320 C319 C324 C315 178.3(6) . . . . ?
C318 C319 C324 C315 -1.7(9) . . . . ?
N33 C32 C325 N326 -106.8(6) . . . . ?
C31 C32 C325 N326 70.6(8) . . . . ?
C32 C325 N326 C328 -96.9(6) . . . . ?
C32 C325 N326 C327 51.0(7) . . . . ?
C327 N326 C328 C329 -11.4(8) . . . . ?
C325 N326 C328 C329 135.4(6) . . . . ?
C327 N326 C328 C337 162.0(5) . . . . ?
C325 N326 C328 C337 -51.2(8) . . . . ?
N326 C328 C329 C330 176.3(6) . . . . ?
C337 C328 C329 C330 2.6(9) . . . . ?
C328 C329 C330 C331 0.4(10) . . . . ?
C329 C330 C331 C332 -1.9(10) . . . . ?
C330 C331 C332 C333 -177.4(6) . . . . ?
C330 C331 C332 C337 0.2(10) . . . . ?
C331 C332 C333 C334 178.0(6) . . . . ?
C337 C332 C333 C334 0.3(9) . . . . ?
C332 C333 C334 C335 -1.0(10) . . . . ?
C333 C334 C335 N336 0.3(10) . . . . ?
C334 C335 N336 C337 1.1(9) . . . . ?
C335 N336 C337 C328 178.7(5) . . . . ?
C335 N336 C337 C332 -1.7(8) . . . . ?
C329 C328 C337 N336 175.4(5) . . . . ?
N326 C328 C337 N336 1.7(8) . . . . ?
C329 C328 C337 C332 -4.2(9) . . . . ?
N326 C328 C337 C332 -177.9(5) . . . . ?
C331 C332 C337 N336 -176.7(6) . . . . ?
C333 C332 C337 N336 1.0(9) . . . . ?
C331 C332 C337 C328 2.9(9) . . . . ?
C333 C332 C337 C328 -179.4(6) . . . . ?
C6_5 C1_5 C2_5 C3_5 2.3(12) . . . . ?
C11_5 C1_5 C2_5 C3_5 177.6(9) . . . . ?
C1_5 C2_5 C3_5 C4_5 -0.4(12) . . . . ?
C2_5 C3_5 C4_5 C5_5 -2.2(14) . . . . ?
C3_5 C4_5 C5_5 C6_5 3.0(16) . . . . ?
C2_5 C1_5 C6_5 C5_5 -1.5(14) . . . . ?
C11_5 C1_5 C6_5 C5_5 -176.8(10) . . . . ?
C4_5 C5_5 C6_5 C1_5 -1.1(16) . . . . ?
C6_6 C1_6 C2_6 C3_6 0.0(12) . . . . ?
C11_6 C1_6 C2_6 C3_6 179.3(10) . . . . ?
C1_6 C2_6 C3_6 C4_6 2.3(12) . . . . ?
C2_6 C3_6 C4_6 C5_6 -3.1(15) . . . . ?
C3_6 C4_6 C5_6 C6_6 1.6(17) . . . . ?
C4_6 C5_6 C6_6 C1_6 0.8(18) . . . . ?
C2_6 C1_6 C6_6 C5_6 -1.5(16) . . . . ?
C11_6 C1_6 C6_6 C5_6 179.2(11) . . . . ?
C6_7 C1_7 C2_7 C3_7 1.8(10) . . . . ?
C11_7 C1_7 C2_7 C3_7 -174.7(8) . . . . ?
C1_7 C2_7 C3_7 C4_7 0.2(12) . . . . ?
C2_7 C3_7 C4_7 C5_7 -3.1(15) . . . . ?
C3_7 C4_7 C5_7 C6_7 4.0(16) . . . . ?
C2_7 C1_7 C6_7 C5_7 -0.9(11) . . . . ?
C11_7 C1_7 C6_7 C5_7 175.6(8) . . . . ?
C4_7 C5_7 C6_7 C1_7 -2.0(13) . . . . ?
C6_8 C1_8 C2_8 C3_8 3(2) . . . . ?
C11_8 C1_8 C2_8 C3_8 178(2) . . . . ?
C1_8 C2_8 C3_8 C4_8 1(2) . . . . ?
C2_8 C3_8 C4_8 C5_8 -3(5) . . . . ?
C3_8 C4_8 C5_8 C6_8 0(6) . . . . ?
C4_8 C5_8 C6_8 C1_8 4(6) . . . . ?
C2_8 C1_8 C6_8 C5_8 -5(5) . . . . ?
C11_8 C1_8 C6_8 C5_8 180(3) . . . . ?
C6_9 C1_9 C2_9 C3_9 -4(2) . . . . ?
C11_9 C1_9 C2_9 C3_9 177(2) . . . . ?
C1_9 C2_9 C3_9 C4_9 -2(2) . . . . ?
C2_9 C3_9 C4_9 C5_9 4(5) . . . . ?
C3_9 C4_9 C5_9 C6_9 -1(6) . . . . ?
C2_9 C1_9 C6_9 C5_9 7(5) . . . . ?
C11_9 C1_9 C6_9 C5_9 -174(3) . . . . ?
C4_9 C5_9 C6_9 C1_9 -5(6) . . . . ?
