#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:37:48 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179928 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/23/7022302.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_7022302
loop_
_publ_author_name
'Xu, Feng'
'Tao, Tao'
'Zhang, Kun'
'Wang, Xiao-Xu'
'Huang, Wei'
'You, Xiao-Zeng'
_publ_section_title
;
 C-C bond cleavage in acetonitrile by copper(II)-bipyridine complexes and
 in situ formation of cyano-bridged mixed-valent copper complexes.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3631
_journal_page_last               3645
_journal_paper_doi               10.1039/c2dt32281a
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C80 H92 Cu2 N8, 2(Cl O4)'
_chemical_formula_sum            'C80 H92 Cl2 Cu2 N8 O8'
_chemical_formula_weight         1491.60
_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                104.478(2)
_cell_angle_beta                 109.096(2)
_cell_angle_gamma                92.224(2)
_cell_formula_units_Z            1
_cell_length_a                   11.3756(13)
_cell_length_b                   13.2455(14)
_cell_length_c                   14.4389(16)
_cell_measurement_reflns_used    2606
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      20.937
_cell_measurement_theta_min      2.327
_cell_volume                     1973.2(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker 2000)'
_computing_data_reduction        'SAINT (Bruker 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXTL (BRUKER 2000)'
_computing_structure_solution    'SHELXTL (BRUKER 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11119
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.60
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.664
_exptl_absorpt_correction_T_max  0.9365
_exptl_absorpt_correction_T_min  0.9245
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker(2000)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.841
_refine_diff_density_min         -0.478
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.889
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     554
_refine_ls_number_reflns         6897
_refine_ls_number_restraints     166
_refine_ls_restrained_S_all      0.920
_refine_ls_R_factor_all          0.1327
_refine_ls_R_factor_gt           0.0859
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1731P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2345
_refine_ls_wR_factor_ref         0.2562
_reflns_number_gt                3395
_reflns_number_total             6897
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32281a.txt
_cod_data_source_block           12
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               7022302
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 0.64498(6) 0.79834(5) 0.30452(5) 0.0914(4) Uani 1 1 d . D .
C1 C 0.3813(7) 0.7022(5) 0.1544(6) 0.127(2) Uani 1 1 d D D .
C2 C 0.2637(9) 0.6405(7) 0.1286(8) 0.166(4) Uani 1 1 d . . .
H2 H 0.2035 0.6283 0.0639 0.199 Uiso 1 1 calc R . .
C3 C 0.2400(8) 0.5994(7) 0.1992(10) 0.170(4) Uani 1 1 d . . .
H3 H 0.1629 0.5596 0.1821 0.204 Uiso 1 1 calc R . .
C4 C 0.3278(8) 0.6156(5) 0.2958(8) 0.136(3) Uani 1 1 d . . .
C5 C 0.3179(10) 0.5755(7) 0.3785(11) 0.164(4) Uani 1 1 d . . .
H5 H 0.2449 0.5322 0.3660 0.197 Uiso 1 1 calc R . .
C6 C 0.4064(12) 0.5966(8) 0.4713(10) 0.160(3) Uani 1 1 d U . .
H6 H 0.3923 0.5691 0.5206 0.192 Uiso 1 1 calc R . .
C7 C 0.5223(9) 0.6610(6) 0.4957(8) 0.133(2) Uani 1 1 d U . .
C8 C 0.6215(13) 0.6829(8) 0.5874(7) 0.154(4) Uani 1 1 d . . .
H8 H 0.6145 0.6573 0.6401 0.185 Uiso 1 1 calc R . .
C9 C 0.7280(12) 0.7413(7) 0.6001(6) 0.144(3) Uani 1 1 d . . .
H9 H 0.7942 0.7567 0.6620 0.173 Uiso 1 1 calc R . .
C10 C 0.7398(7) 0.7783(5) 0.5225(5) 0.114(2) Uani 1 1 d . D .
C11 C 0.5375(6) 0.7000(4) 0.4157(5) 0.0958(16) Uani 1 1 d . D .
C12 C 0.4428(6) 0.6799(4) 0.3179(5) 0.0983(17) Uani 1 1 d . D .
C13 C 0.4158(9) 0.7449(7) 0.0786(6) 0.161(3) Uani 1 1 d DU . .
C17 C 0.8578(8) 0.8437(7) 0.5365(6) 0.151(3) Uani 1 1 d DU . .
H17A H 0.8800 0.8997 0.5996 0.181 Uiso 1 1 calc R A 1
H17B H 0.8420 0.8761 0.4810 0.181 Uiso 1 1 calc R A 1
C21 C 0.7878(8) 0.6456(6) 0.1981(5) 0.121(2) Uani 1 1 d . D .
C22 C 0.8600(10) 0.6214(8) 0.1330(7) 0.162(4) Uani 1 1 d . . .
H22 H 0.8784 0.5533 0.1129 0.194 Uiso 1 1 calc R . .
C23 C 0.9023(10) 0.7011(10) 0.0999(7) 0.163(4) Uani 1 1 d . . .
H23 H 0.9507 0.6861 0.0584 0.196 Uiso 1 1 calc R . .
C24 C 0.8739(8) 0.8008(7) 0.1275(6) 0.134(3) Uani 1 1 d . . .
C25 C 0.9152(10) 0.8858(11) 0.0980(7) 0.171(4) Uani 1 1 d . . .
H25 H 0.9618 0.8742 0.0550 0.205 Uiso 1 1 calc R . .
C26 C 0.8879(10) 0.9846(9) 0.1317(8) 0.154(3) Uani 1 1 d . . .
H26 H 0.9217 1.0406 0.1162 0.185 Uiso 1 1 calc R . .
C27 C 0.8110(8) 1.0016(7) 0.1879(6) 0.123(2) Uani 1 1 d . . .
C28 C 0.7714(9) 1.1014(6) 0.2216(8) 0.143(3) Uani 1 1 d . . .
H28 H 0.7958 1.1583 0.2021 0.172 Uiso 1 1 calc R . .
C29 C 0.7018(9) 1.1146(6) 0.2789(7) 0.136(3) Uani 1 1 d . . .
H29 H 0.6787 1.1806 0.3001 0.163 Uiso 1 1 calc R . .
C30 C 0.6616(6) 1.0313(5) 0.3087(5) 0.1078(19) Uani 1 1 d . D .
C31 C 0.7661(6) 0.9207(5) 0.2213(5) 0.0989(17) Uani 1 1 d . D .
C32 C 0.8007(6) 0.8181(6) 0.1915(4) 0.1053(18) Uani 1 1 d . D .
C33 C 0.7391(9) 0.5612(5) 0.2376(6) 0.139(3) Uani 1 1 d D . .
H33A H 0.7267 0.4920 0.1902 0.167 Uiso 1 1 calc R B 1
H33B H 0.6604 0.5757 0.2473 0.167 Uiso 1 1 calc R B 1
C37 C 0.5799(9) 1.0463(6) 0.3729(6) 0.139(3) Uani 1 1 d DU . .
H37A H 0.6054 1.1152 0.4220 0.167 Uiso 1 1 calc R C 1
H37B H 0.5908 0.9939 0.4103 0.167 Uiso 1 1 calc R C 1
Cl1 Cl 0.98809(18) 0.32535(15) 0.15755(14) 0.1126(6) Uani 1 1 d . . .
N1 N 0.4663(4) 0.7206(3) 0.2476(4) 0.0979(13) Uani 1 1 d . . .
N2 N 0.6488(5) 0.7610(3) 0.4326(3) 0.0891(12) Uani 1 1 d . . .
N3 N 0.7587(5) 0.7420(4) 0.2241(3) 0.0978(13) Uani 1 1 d . . .
N4 N 0.6935(4) 0.9348(3) 0.2800(3) 0.0886(12) Uani 1 1 d . . .
O1 O 1.0091(16) 0.2351(8) 0.1302(11) 0.352(9) Uani 1 1 d . . .
O2 O 1.0364(11) 0.3808(11) 0.2608(6) 0.303(6) Uani 1 1 d . . .
O3 O 0.9905(7) 0.3907(5) 0.0957(5) 0.168(2) Uani 1 1 d . . .
O4 O 0.8584(7) 0.3167(8) 0.1526(7) 0.234(4) Uani 1 1 d . . .
C14 C 0.4757(15) 0.6666(11) 0.0069(10) 0.143(5) Uani 0.540(3) 1 d PD D 1
H14A H 0.5478 0.6436 0.0507 0.171 Uiso 0.540(3) 1 calc PR D 1
H14B H 0.4145 0.6048 -0.0322 0.171 Uiso 0.540(3) 1 calc PR D 1
C15 C 0.518(2) 0.7102(14) -0.0690(12) 0.187(8) Uani 0.540(3) 1 d PD D 1
H15A H 0.4447 0.7246 -0.1186 0.225 Uiso 0.540(3) 1 calc PR D 1
H15B H 0.5716 0.7768 -0.0314 0.225 Uiso 0.540(3) 1 calc PR D 1
C16 C 0.5868(19) 0.6423(16) -0.1246(15) 0.178(5) Uani 0.540(3) 1 d PD D 1
H16A H 0.6609 0.6282 -0.0765 0.268 Uiso 0.540(3) 1 d PR D 1
H16B H 0.6102 0.6771 -0.1681 0.268 Uiso 0.540(3) 1 d PR D 1
H16C H 0.5342 0.5773 -0.1653 0.268 Uiso 0.540(3) 1 d PR D 1
C18 C 0.9676(16) 0.7828(15) 0.5396(15) 0.183(5) Uani 0.540(3) 1 d PDU D 1
H18A H 1.0084 0.8115 0.5006 0.220 Uiso 0.540(3) 1 calc PR D 1
H18B H 1.0236 0.8083 0.6100 0.220 Uiso 0.540(3) 1 calc PR D 1
C19 C 0.979(2) 0.6745(16) 0.513(2) 0.249(13) Uani 0.540(3) 1 d PDU D 1
H19A H 0.9214 0.6467 0.4433 0.298 Uiso 0.540(3) 1 calc PR D 1
H19B H 0.9439 0.6449 0.5547 0.298 Uiso 0.540(3) 1 calc PR D 1
C20 C 1.098(2) 0.623(2) 0.516(2) 0.248(10) Uani 0.540(3) 1 d PDU . 1
H20A H 1.0801 0.5481 0.4934 0.372 Uiso 0.540(3) 1 d PR D 1
H20C H 1.1356 0.6476 0.4737 0.372 Uiso 0.540(3) 1 d PR D 1
H20B H 1.1537 0.6452 0.5855 0.372 Uiso 0.540(3) 1 d PR D 1
C34 C 0.8427(16) 0.5679(14) 0.3400(13) 0.178(5) Uani 0.540(3) 1 d PDU D 1
H34A H 0.8744 0.6412 0.3760 0.214 Uiso 0.540(3) 1 calc PR D 1
H34B H 0.9116 0.5334 0.3269 0.214 Uiso 0.540(3) 1 calc PR D 1
C35 C 0.794(2) 0.5148(15) 0.4101(16) 0.198(5) Uani 0.540(3) 1 d PDU D 1
H35A H 0.8457 0.5453 0.4811 0.238 Uiso 0.540(3) 1 calc PR D 1
H35B H 0.7083 0.5281 0.4023 0.238 Uiso 0.540(3) 1 calc PR D 1
C36 C 0.798(2) 0.4001(15) 0.3813(18) 0.204(6) Uani 0.540(3) 1 d PDU . 1
H36C H 0.7691 0.3639 0.4211 0.306 Uiso 0.540(3) 1 d PR D 1
H36B H 0.7446 0.3751 0.3110 0.306 Uiso 0.540(3) 1 d PR D 1
H36A H 0.8825 0.3872 0.3872 0.306 Uiso 0.540(3) 1 d PR D 1
C38 C 0.4439(18) 1.0371(19) 0.3088(15) 0.195(9) Uani 0.540(3) 1 d PDU D 1
H38A H 0.4079 0.9708 0.3116 0.234 Uiso 0.540(3) 1 calc PR D 1
H38B H 0.4118 1.0910 0.3497 0.234 Uiso 0.540(3) 1 calc PR D 1
C39 C 0.3800(19) 1.040(2) 0.2089(16) 0.234(12) Uani 0.540(3) 1 d PDU D 1
H39A H 0.4052 0.9846 0.1638 0.281 Uiso 0.540(3) 1 calc PR D 1
H39B H 0.4102 1.1062 0.2021 0.281 Uiso 0.540(3) 1 calc PR D 1
C40 C 0.2380(18) 1.0284(19) 0.1686(19) 0.199(8) Uani 0.540(3) 1 d PDU D 1
H40A H 0.2097 1.0087 0.2182 0.299 Uiso 0.540(3) 1 d PR D 1
H40B H 0.2017 0.9762 0.1040 0.299 Uiso 0.540(3) 1 d PR D 1
H40C H 0.2126 1.0953 0.1618 0.299 Uiso 0.540(3) 1 d PR D 1
C14' C 0.417(3) 0.8632(13) 0.087(2) 0.228(10) Uani 0.460(3) 1 d PDU D 2
H14C H 0.5016 0.8989 0.1245 0.273 Uiso 0.460(3) 1 calc PR D 2
H14D H 0.3921 0.8727 0.0188 0.273 Uiso 0.460(3) 1 calc PR D 2
C15' C 0.333(2) 0.9111(18) 0.1375(18) 0.178(5) Uani 0.460(3) 1 d PDU D 2
H15C H 0.3701 0.9140 0.2090 0.214 Uiso 0.460(3) 1 calc PR D 2
H15D H 0.2555 0.8626 0.1104 0.214 Uiso 0.460(3) 1 calc PR D 2
C16' C 0.294(3) 1.023(2) 0.133(3) 0.228(10) Uani 0.460(3) 1 d PDU D 2
H16E H 0.2055 1.0177 0.1213 0.342 Uiso 0.460(3) 1 d PR D 2
H16D H 0.3108 1.0492 0.0819 0.342 Uiso 0.460(3) 1 d PR D 2
H16F H 0.3386 1.0703 0.1994 0.342 Uiso 0.460(3) 1 d PR D 2
C18' C 0.839(3) 0.9563(15) 0.598(2) 0.230(10) Uani 0.460(3) 1 d PDU D 2
H18C H 0.7489 0.9584 0.5735 0.276 Uiso 0.460(3) 1 calc PR D 2
H18D H 0.8599 0.9529 0.6682 0.276 Uiso 0.460(3) 1 calc PR D 2
C19' C 0.895(3) 1.061(2) 0.607(2) 0.236(10) Uani 0.460(3) 1 d PDU D 2
H19C H 0.8875 1.0648 0.5387 0.283 Uiso 0.460(3) 1 calc PR D 2
H19D H 0.9840 1.0691 0.6461 0.283 Uiso 0.460(3) 1 calc PR D 2
C20' C 0.836(3) 1.1556(18) 0.658(2) 0.227(13) Uani 0.460(3) 1 d PDU D 2
H20D H 0.8235 1.1444 0.7172 0.341 Uiso 0.460(3) 1 d PR D 2
H20F H 0.7570 1.1644 0.6109 0.341 Uiso 0.460(3) 1 d PR D 2
H20E H 0.8946 1.2175 0.6769 0.341 Uiso 0.460(3) 1 d PR D 2
C34' C 0.6025(14) 0.4927(10) 0.1588(10) 0.119(5) Uani 0.460(3) 1 d PD D 2
H34C H 0.5465 0.5438 0.1410 0.143 Uiso 0.460(3) 1 calc PR D 2
H34D H 0.6161 0.4561 0.0968 0.143 Uiso 0.460(3) 1 calc PR D 2
C35' C 0.527(3) 0.409(2) 0.186(2) 0.239(11) Uani 0.460(3) 1 d PDU D 2
H35C H 0.4401 0.3984 0.1404 0.287 Uiso 0.460(3) 1 calc PR D 2
H35D H 0.5600 0.3431 0.1723 0.287 Uiso 0.460(3) 1 calc PR D 2
C36' C 0.528(4) 0.438(3) 0.297(2) 0.308(13) Uani 0.460(3) 1 d PDU D 2
H36E H 0.5280 0.3750 0.3193 0.462 Uiso 0.460(3) 1 d PR D 2
H36F H 0.4546 0.4698 0.2999 0.462 Uiso 0.460(3) 1 d PR D 2
H36D H 0.6018 0.4858 0.3411 0.462 Uiso 0.460(3) 1 d PR D 2
C38' C 0.6615(18) 1.0754(17) 0.4916(12) 0.167(5) Uani 0.460(3) 1 d PDU D 2
H38C H 0.6099 1.1084 0.5293 0.201 Uiso 0.460(3) 1 calc PR D 2
H38D H 0.6790 1.0101 0.5092 0.201 Uiso 0.460(3) 1 calc PR D 2
C39' C 0.786(2) 1.1469(18) 0.5299(15) 0.199(8) Uani 0.460(3) 1 d PDU D 2
H39D H 0.7665 1.2175 0.5291 0.238 Uiso 0.460(3) 1 calc PR D 2
H39C H 0.8274 1.1245 0.4809 0.238 Uiso 0.460(3) 1 calc PR D 2
C40' C 0.880(2) 1.153(3) 0.6370(19) 0.187(10) Uani 0.460(3) 1 d PDU D 2
H40D H 0.8712 1.2133 0.6865 0.281 Uiso 0.460(3) 1 d PR D 2
H40E H 0.9639 1.1606 0.6351 0.281 Uiso 0.460(3) 1 d PR D 2
H40F H 0.8661 1.0906 0.6556 0.281 Uiso 0.460(3) 1 d PR D 2
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N4 Cu1 N2 132.03(18) . .
N4 Cu1 N1 124.46(18) . .
N2 Cu1 N1 83.3(2) . .
N4 Cu1 N3 82.8(2) . .
N2 Cu1 N3 123.11(18) . .
N1 Cu1 N3 115.3(2) . .
N1 C1 C2 119.8(8) . .
N1 C1 C13 117.9(6) . .
C2 C1 C13 122.3(8) . .
C3 C2 C1 119.7(8) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C2 C3 C4 121.5(8) . .
C2 C3 H3 119.2 . .
C4 C3 H3 119.2 . .
C3 C4 C12 116.3(8) . .
C3 C4 C5 128.1(9) . .
C12 C4 C5 115.6(9) . .
C6 C5 C4 124.7(9) . .
C6 C5 H5 117.7 . .
C4 C5 H5 117.7 . .
C5 C6 C7 120.9(10) . .
C5 C6 H6 119.5 . .
C7 C6 H6 119.5 . .
C8 C7 C6 125.1(10) . .
C8 C7 C11 118.5(9) . .
C6 C7 C11 116.3(10) . .
C9 C8 C7 119.7(9) . .
C9 C8 H8 120.2 . .
C7 C8 H8 120.2 . .
C8 C9 C10 120.6(9) . .
C8 C9 H9 119.7 . .
C10 C9 H9 119.7 . .
N2 C10 C9 123.2(8) . .
N2 C10 C17 116.0(7) . .
C9 C10 C17 120.7(8) . .
N2 C11 C12 117.2(5) . .
N2 C11 C7 119.8(7) . .
C12 C11 C7 123.0(7) . .
N1 C12 C11 118.4(5) . .
N1 C12 C4 122.1(7) . .
C11 C12 C4 119.4(7) . .
C1 C13 C14' 119.6(11) . .
C1 C13 C14 115.9(8) . .
C14' C13 C14 123.4(12) . .
C10 C17 C18 113.9(10) . .
C10 C17 C18' 101.2(13) . .
C18 C17 C18' 135.3(15) . .
C10 C17 H17A 108.8 . .
C18 C17 H17A 108.8 . .
C18' C17 H17A 30.0 . .
C10 C17 H17B 108.8 . .
C18 C17 H17B 108.8 . .
C18' C17 H17B 83.5 . .
H17A C17 H17B 107.7 . .
N3 C21 C22 120.3(8) . .
N3 C21 C33 118.2(6) . .
C22 C21 C33 121.5(8) . .
C23 C22 C21 119.1(8) . .
C23 C22 H22 120.5 . .
C21 C22 H22 120.5 . .
C24 C23 C22 120.9(8) . .
C24 C23 H23 119.6 . .
C22 C23 H23 119.6 . .
C23 C24 C25 124.0(9) . .
C23 C24 C32 116.5(8) . .
C25 C24 C32 119.5(8) . .
C26 C25 C24 121.1(8) . .
C26 C25 H25 119.5 . .
C24 C25 H25 119.5 . .
C25 C26 C27 120.2(8) . .
C25 C26 H26 119.9 . .
C27 C26 H26 119.9 . .
C26 C27 C31 122.1(8) . .
C26 C27 C28 124.2(8) . .
C31 C27 C28 113.8(8) . .
C29 C28 C27 121.8(7) . .
C29 C28 H28 119.1 . .
C27 C28 H28 119.1 . .
C28 C29 C30 121.1(8) . .
C28 C29 H29 119.5 . .
C30 C29 H29 119.5 . .
N4 C30 C29 121.2(7) . .
N4 C30 C37 117.9(6) . .
C29 C30 C37 120.9(7) . .
N4 C31 C27 124.1(7) . .
N4 C31 C32 118.1(5) . .
C27 C31 C32 117.9(7) . .
N3 C32 C24 123.5(6) . .
N3 C32 C31 117.6(6) . .
C24 C32 C31 118.9(7) . .
C21 C33 C34 104.5(8) . .
C21 C33 C34' 114.0(7) . .
C34 C33 C34' 141.5(9) . .
C21 C33 H33A 110.8 . .
C34 C33 H33A 110.8 . .
C34' C33 H33A 53.7 . .
C21 C33 H33B 110.8 . .
C34 C33 H33B 110.8 . .
C34' C33 H33B 57.5 . .
H33A C33 H33B 108.9 . .
C30 C37 C38 111.5(9) . .
C30 C37 C38' 111.4(10) . .
C38 C37 C38' 136.9(12) . .
C30 C37 H37A 109.3 . .
C38 C37 H37A 109.3 . .
C38' C37 H37A 51.6 . .
C30 C37 H37B 109.3 . .
C38 C37 H37B 109.3 . .
C38' C37 H37B 58.4 . .
H37A C37 H37B 108.0 . .
O1 Cl1 O3 117.6(6) . .
O1 Cl1 O2 119.7(9) . .
O3 Cl1 O2 111.4(6) . .
O1 Cl1 O4 105.5(8) . .
O3 Cl1 O4 103.3(5) . .
O2 Cl1 O4 94.7(6) . .
C1 N1 C12 120.6(6) . .
C1 N1 Cu1 128.9(5) . .
C12 N1 Cu1 110.4(4) . .
C10 N2 C11 118.2(6) . .
C10 N2 Cu1 131.1(5) . .
C11 N2 Cu1 110.5(4) . .
C21 N3 C32 119.7(6) . .
C21 N3 Cu1 129.7(5) . .
C32 N3 Cu1 110.4(4) . .
C30 N4 C31 118.1(5) . .
C30 N4 Cu1 130.8(5) . .
C31 N4 Cu1 111.0(4) . .
C15 C14 C13 117.2(11) . .
C15 C14 H14A 108.0 . .
C13 C14 H14A 108.0 . .
C15 C14 H14B 108.0 . .
C13 C14 H14B 108.0 . .
H14A C14 H14B 107.2 . .
C16 C15 C14 116.3(15) . .
C16 C15 H15A 108.2 . .
C14 C15 H15A 108.2 . .
C16 C15 H15B 108.2 . .
C14 C15 H15B 108.2 . .
H15A C15 H15B 107.4 . .
C15 C16 H16A 109.2 . .
C15 C16 H16B 109.6 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.6 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C19 C18 C17 133.7(17) . .
C19 C18 H18A 103.8 . .
C17 C18 H18A 103.8 . .
C19 C18 H18B 103.8 . .
C17 C18 H18B 103.8 . .
H18A C18 H18B 105.4 . .
C18 C19 C20 128.1(19) . .
C18 C19 H19A 105.3 . .
C20 C19 H19A 105.3 . .
C18 C19 H19B 105.3 . .
C20 C19 H19B 105.3 . .
H19A C19 H19B 106.0 . .
C19 C20 C36 126(2) . 2_766
C19 C20 H20A 111.8 . .
C36 C20 H20A 82.7 2_766 .
C19 C20 H20C 109.6 . .
C36 C20 H20C 113.4 2_766 .
H20A C20 H20C 109.5 . .
C19 C20 H20B 106.9 . .
C36 C20 H20B 27.8 2_766 .
H20A C20 H20B 109.5 . .
H20C C20 H20B 109.5 . .
C33 C34 C35 112.3(14) . .
C33 C34 H34A 109.1 . .
C35 C34 H34A 109.1 . .
C33 C34 H34B 109.1 . .
C35 C34 H34B 109.1 . .
H34A C34 H34B 107.9 . .
C36 C35 C34 110.0(16) . .
C36 C35 H35A 109.7 . .
C34 C35 H35A 109.7 . .
C36 C35 H35B 109.7 . .
C34 C35 H35B 109.7 . .
H35A C35 H35B 108.2 . .
C35 C36 C20 105.3(19) . 2_766
C35 C36 H36C 113.6 . .
C20 C36 H36C 60.7 2_766 .
C35 C36 H36B 105.3 . .
C20 C36 H36B 149.2 2_766 .
H36C C36 H36B 109.5 . .
C35 C36 H36A 109.5 . .
C20 C36 H36A 55.7 2_766 .
H36C C36 H36A 109.5 . .
H36B C36 H36A 109.5 . .
C39 C38 C37 134.4(16) . .
C39 C38 H38A 103.6 . .
C37 C38 H38A 103.6 . .
C39 C38 H38B 103.6 . .
C37 C38 H38B 103.6 . .
H38A C38 H38B 105.3 . .
C38 C39 C40 120(2) . .
C38 C39 H39A 107.3 . .
C40 C39 H39A 107.3 . .
C38 C39 H39B 107.3 . .
C40 C39 H39B 107.3 . .
H39A C39 H39B 106.9 . .
C38 C39 H16F 121.2 . .
C40 C39 H16F 43.9 . .
H39A C39 H16F 131.2 . .
H39B C39 H16F 65.4 . .
C39 C40 H40A 107.2 . .
C39 C40 H40B 112.7 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 108.4 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C39 C40 H16E 123.2 . .
H40A C40 H16E 124.1 . .
H40B C40 H16E 31.9 . .
H40C C40 H16E 77.6 . .
C39 C40 H16F 22.6 . .
H40A C40 H16F 115.2 . .
H40B C40 H16F 124.0 . .
H40C C40 H16F 85.9 . .
H16E C40 H16F 120.6 . .
C15' C14' C13 112.3(16) . .
C15' C14' H14C 109.1 . .
C13 C14' H14C 109.1 . .
C15' C14' H14D 109.1 . .
C13 C14' H14D 109.1 . .
H14C C14' H14D 107.9 . .
C14' C15' C16' 121.7(16) . .
C14' C15' H15C 106.9 . .
C16' C15' H15C 106.9 . .
C14' C15' H15D 106.9 . .
C16' C15' H15D 106.9 . .
H15C C15' H15D 106.7 . .
C15' C16' H40B 79.4 . .
C15' C16' H40C 141.7 . .
H40B C16' H40C 75.3 . .
C15' C16' H16E 106.3 . .
H40B C16' H16E 29.5 . .
H40C C16' H16E 45.9 . .
C15' C16' H16D 115.3 . .
H40B C16' H16D 111.9 . .
H40C C16' H16D 100.7 . .
H16E C16' H16D 109.5 . .
C15' C16' H16F 106.6 . .
H40B C16' H16F 130.2 . .
H40C C16' H16F 70.7 . .
H16E C16' H16F 109.5 . .
H16D C16' H16F 109.5 . .
C19' C18' C17 129(2) . .
C19' C18' H18C 105.0 . .
C17 C18' H18C 105.0 . .
C19' C18' H18D 105.0 . .
C17 C18' H18D 105.0 . .
H18C C18' H18D 105.9 . .
C18' C19' C20' 114.9(18) . .
C18' C19' H19C 108.6 . .
C20' C19' H19C 108.6 . .
C18' C19' H19D 108.6 . .
C20' C19' H19D 108.6 . .
H19C C19' H19D 107.5 . .
C18' C19' H40E 168.1 . .
C20' C19' H40E 64.4 . .
H19C C19' H40E 82.3 . .
H19D C19' H40E 62.3 . .
C18' C19' H40F 91.4 . .
C20' C19' H40F 30.8 . .
H19C C19' H40F 138.0 . .
H19D C19' H40F 99.9 . .
H40E C19' H40F 83.2 . .
C19' C20' H20D 110.3 . .
C19' C20' H20F 111.6 . .
H20D C20' H20F 109.5 . .
C19' C20' H20E 106.5 . .
H20D C20' H20E 109.5 . .
H20F C20' H20E 109.5 . .
C19' C20' H40D 124.8 . .
H20D C20' H40D 93.5 . .
H20F C20' H40D 105.3 . .
H20E C20' H40D 20.0 . .
C19' C20' H40F 29.0 . .
H20D C20' H40F 81.2 . .
H20F C20' H40F 123.6 . .
H20E C20' H40F 118.6 . .
H40D C20' H40F 129.7 . .
C35' C34' C33 123.8(15) . .
C35' C34' H34C 106.4 . .
C33 C34' H34C 106.4 . .
C35' C34' H34D 106.4 . .
C33 C34' H34D 106.4 . .
H34C C34' H34D 106.5 . .
C36' C35' C34' 116.1(18) . .
C36' C35' H35C 108.3 . .
C34' C35' H35C 108.3 . .
C36' C35' H35D 108.3 . .
C34' C35' H35D 108.3 . .
H35C C35' H35D 107.4 . .
C35' C36' H36E 109.8 . .
C35' C36' H36F 109.0 . .
H36E C36' H36F 109.5 . .
C35' C36' H36D 109.5 . .
H36E C36' H36D 109.5 . .
H36F C36' H36D 109.5 . .
C39' C38' C37 118.2(15) . .
C39' C38' H38C 107.8 . .
C37 C38' H38C 107.8 . .
C39' C38' H38D 107.8 . .
C37 C38' H38D 107.8 . .
H38C C38' H38D 107.1 . .
C38' C39' C40' 118.6(17) . .
C38' C39' H20F 78.7 . .
C40' C39' H20F 56.2 . .
C38' C39' H39D 107.7 . .
C40' C39' H39D 107.7 . .
H20F C39' H39D 85.5 . .
C38' C39' H39C 107.7 . .
C40' C39' H39C 107.7 . .
H20F C39' H39C 162.7 . .
H39D C39' H39C 107.1 . .
C39' C40' H20D 115.8 . .
C39' C40' H20F 51.9 . .
H20D C40' H20F 65.7 . .
C39' C40' H20E 110.6 . .
H20D C40' H20E 76.3 . .
H20F C40' H20E 86.7 . .
C39' C40' H40D 109.9 . .
H20D C40' H40D 56.8 . .
H20F C40' H40D 72.0 . .
H20E C40' H40D 21.1 . .
C39' C40' H40E 108.7 . .
H20D C40' H40E 135.5 . .
H20F C40' H40E 156.8 . .
H20E C40' H40E 90.0 . .
H40D C40' H40E 109.5 . .
C39' C40' H40F 109.9 . .
H20D C40' H40F 54.0 . .
H20F C40' H40F 91.0 . .
H20E C40' H40F 125.7 . .
H40D C40' H40F 109.5 . .
H40E C40' H40F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N4 2.017(4) .
Cu1 N2 2.018(4) .
Cu1 N1 2.047(5) .
Cu1 N3 2.050(5) .
C1 N1 1.332(8) .
C1 C2 1.426(11) .
C1 C13 1.498(12) .
C2 C3 1.361(14) .
C2 H2 0.9300 .
C3 C4 1.383(13) .
C3 H3 0.9300 .
C4 C12 1.429(9) .
C4 C5 1.456(13) .
C5 C6 1.339(14) .
C5 H5 0.9300 .
C6 C7 1.431(13) .
C6 H6 0.9300 .
C7 C8 1.385(13) .
C7 C11 1.433(10) .
C8 C9 1.346(13) .
C8 H8 0.9300 .
C9 C10 1.372(11) .
C9 H9 0.9300 .
C10 N2 1.327(7) .
C10 C17 1.496(11) .
C11 N2 1.391(7) .
C11 C12 1.421(9) .
C12 N1 1.352(8) .
C13 C14' 1.541(14) .
C13 C14 1.611(13) .
C17 C18 1.507(15) .
C17 C18' 1.599(16) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C21 N3 1.325(8) .
C21 C22 1.426(11) .
C21 C33 1.537(10) .
C22 C23 1.392(13) .
C22 H22 0.9300 .
C23 C24 1.366(12) .
C23 H23 0.9300 .
C24 C25 1.414(12) .
C24 C32 1.418(9) .
C25 C26 1.362(13) .
C25 H25 0.9300 .
C26 C27 1.365(11) .
C26 H26 0.9300 .
C27 C31 1.421(9) .
C27 C28 1.434(11) .
C28 C29 1.307(11) .
C28 H28 0.9300 .
C29 C30 1.392(10) .
C29 H29 0.9300 .
C30 N4 1.344(7) .
C30 C37 1.499(10) .
C31 N4 1.352(7) .
C31 C32 1.430(9) .
C32 N3 1.347(8) .
C33 C34 1.539(15) .
C33 C34' 1.658(14) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C37 C38 1.50(2) .
C37 C38' 1.597(15) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
Cl1 O1 1.220(8) .
Cl1 O3 1.395(5) .
Cl1 O2 1.396(9) .
Cl1 O4 1.452(8) .
C14 C15 1.554(15) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.469(16) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C18 C19 1.411(16) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.524(17) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C36 1.68(3) 2_766
C20 H20A 0.9600 .
C20 H20C 0.9602 .
C20 H20B 0.9599 .
C34 C35 1.589(16) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.479(17) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 C20 1.68(3) 2_766
C36 H36C 0.9599 .
C36 H36B 0.9600 .
C36 H36A 0.9600 .
C38 C39 1.398(17) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C40 1.514(17) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C39 H16F 0.6352 .
C40 H40A 0.9600 .
C40 H40B 0.9600 .
C40 H40C 0.9600 .
C40 H16E 0.6363 .
C40 H16F 1.1449 .
C14' C15' 1.461(16) .
C14' H14C 0.9700 .
C14' H14D 0.9700 .
C15' C16' 1.572(18) .
C15' H15C 0.9700 .
C15' H15D 0.9700 .
C16' H40B 1.0909 .
C16' H40C 1.4357 .
C16' H16E 0.9600 .
C16' H16D 0.9600 .
C16' H16F 0.9600 .
C18' C19' 1.464(18) .
C18' H18C 0.9700 .
C18' H18D 0.9700 .
C19' C20' 1.583(18) .
C19' H19C 0.9700 .
C19' H19D 0.9700 .
C19' H40E 1.4014 .
C19' H40F 0.8886 .
C20' H20D 0.9600 .
C20' H20F 0.9600 .
C20' H20E 0.9600 .
C20' H40D 0.7926 .
C20' H40F 0.9378 .
C34' C35' 1.575(18) .
C34' H34C 0.9700 .
C34' H34D 0.9700 .
C35' C36' 1.549(18) .
C35' H35C 0.9700 .
C35' H35D 0.9700 .
C36' H36E 0.9600 .
C36' H36F 0.9600 .
C36' H36D 0.9600 .
C38' C39' 1.522(17) .
C38' H38C 0.9700 .
C38' H38D 0.9700 .
C39' C40' 1.549(18) .
C39' H20F 1.2829 .
C39' H39D 0.9700 .
C39' H39C 0.9700 .
C40' H20D 1.5256 .
C40' H20F 1.3539 .
C40' H20E 0.8734 .
C40' H40D 0.9600 .
C40' H40E 0.9600 .
C40' H40F 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 -1.0(14) .
C13 C1 C2 C3 176.8(9) .
C1 C2 C3 C4 -0.4(15) .
C2 C3 C4 C12 1.6(13) .
C2 C3 C4 C5 -178.6(9) .
C3 C4 C5 C6 -178.4(10) .
C12 C4 C5 C6 1.4(13) .
C4 C5 C6 C7 -1.2(15) .
C5 C6 C7 C8 -176.6(9) .
C5 C6 C7 C11 -0.4(12) .
C6 C7 C8 C9 177.4(8) .
C11 C7 C8 C9 1.2(12) .
C7 C8 C9 C10 -0.8(14) .
C8 C9 C10 N2 1.1(12) .
C8 C9 C10 C17 179.7(8) .
C8 C7 C11 N2 -1.9(9) .
C6 C7 C11 N2 -178.4(6) .
C8 C7 C11 C12 178.4(6) .
C6 C7 C11 C12 1.9(9) .
N2 C11 C12 N1 0.1(8) .
C7 C11 C12 N1 179.8(5) .
N2 C11 C12 C4 178.5(5) .
C7 C11 C12 C4 -1.8(9) .
C3 C4 C12 N1 -1.7(10) .
C5 C4 C12 N1 178.5(6) .
C3 C4 C12 C11 180.0(6) .
C5 C4 C12 C11 0.2(9) .
N1 C1 C13 C14' -75.7(16) .
C2 C1 C13 C14' 106.5(15) .
N1 C1 C13 C14 92.6(9) .
C2 C1 C13 C14 -85.2(11) .
N2 C10 C17 C18 -109.4(11) .
C9 C10 C17 C18 72.0(13) .
N2 C10 C17 C18' 99.0(12) .
C9 C10 C17 C18' -79.7(13) .
N3 C21 C22 C23 1.9(13) .
C33 C21 C22 C23 -179.6(8) .
C21 C22 C23 C24 -1.1(15) .
C22 C23 C24 C25 179.0(9) .
C22 C23 C24 C32 0.5(14) .
C23 C24 C25 C26 -177.2(10) .
C32 C24 C25 C26 1.2(14) .
C24 C25 C26 C27 -5.4(15) .
C25 C26 C27 C31 5.8(14) .
C25 C26 C27 C28 -176.3(9) .
C26 C27 C28 C29 -177.1(9) .
C31 C27 C28 C29 0.9(12) .
C27 C28 C29 C30 -0.9(14) .
C28 C29 C30 N4 0.4(12) .
C28 C29 C30 C37 -178.9(8) .
C26 C27 C31 N4 177.6(7) .
C28 C27 C31 N4 -0.4(10) .
C26 C27 C31 C32 -2.0(10) .
C28 C27 C31 C32 180.0(6) .
C23 C24 C32 N3 -0.7(11) .
C25 C24 C32 N3 -179.2(7) .
C23 C24 C32 C31 -178.9(7) .
C25 C24 C32 C31 2.6(11) .
N4 C31 C32 N3 -0.1(8) .
C27 C31 C32 N3 179.5(5) .
N4 C31 C32 C24 178.2(6) .
C27 C31 C32 C24 -2.2(9) .
N3 C21 C33 C34 -90.0(11) .
C22 C21 C33 C34 91.5(11) .
N3 C21 C33 C34' 92.1(9) .
C22 C21 C33 C34' -86.3(10) .
N4 C30 C37 C38 -95.5(12) .
C29 C30 C37 C38 83.8(13) .
N4 C30 C37 C38' 88.3(11) .
C29 C30 C37 C38' -92.5(11) .
C2 C1 N1 C12 1.0(10) .
C13 C1 N1 C12 -176.9(6) .
C2 C1 N1 Cu1 176.3(6) .
C13 C1 N1 Cu1 -1.6(10) .
C11 C12 N1 C1 178.8(5) .
C4 C12 N1 C1 0.4(9) .
C11 C12 N1 Cu1 2.6(6) .
C4 C12 N1 Cu1 -175.7(5) .
N4 Cu1 N1 C1 43.6(6) .
N2 Cu1 N1 C1 -178.9(6) .
N3 Cu1 N1 C1 -55.4(6) .
N4 Cu1 N1 C12 -140.7(4) .
N2 Cu1 N1 C12 -3.2(4) .
N3 Cu1 N1 C12 120.3(4) .
C9 C10 N2 C11 -1.8(9) .
C17 C10 N2 C11 179.6(6) .
C9 C10 N2 Cu1 -175.9(5) .
C17 C10 N2 Cu1 5.5(9) .
C12 C11 N2 C10 -178.2(5) .
C7 C11 N2 C10 2.1(8) .
C12 C11 N2 Cu1 -2.9(6) .
C7 C11 N2 Cu1 177.4(4) .
N4 Cu1 N2 C10 -50.8(6) .
N1 Cu1 N2 C10 177.8(5) .
N3 Cu1 N2 C10 61.9(5) .
N4 Cu1 N2 C11 134.7(3) .
N1 Cu1 N2 C11 3.3(3) .
N3 Cu1 N2 C11 -112.6(4) .
C22 C21 N3 C32 -2.1(10) .
C33 C21 N3 C32 179.5(6) .
C22 C21 N3 Cu1 173.9(6) .
C33 C21 N3 Cu1 -4.6(9) .
C24 C32 N3 C21 1.5(10) .
C31 C32 N3 C21 179.7(6) .
C24 C32 N3 Cu1 -175.2(6) .
C31 C32 N3 Cu1 3.0(7) .
N4 Cu1 N3 C21 -179.8(6) .
N2 Cu1 N3 C21 43.9(6) .
N1 Cu1 N3 C21 -55.0(6) .
N4 Cu1 N3 C32 -3.5(4) .
N2 Cu1 N3 C32 -139.8(4) .
N1 Cu1 N3 C32 121.3(4) .
C29 C30 N4 C31 0.1(9) .
C37 C30 N4 C31 179.4(6) .
C29 C30 N4 Cu1 -176.8(5) .
C37 C30 N4 Cu1 2.4(8) .
C27 C31 N4 C30 0.0(8) .
C32 C31 N4 C30 179.6(5) .
C27 C31 N4 Cu1 177.5(5) .
C32 C31 N4 Cu1 -2.9(6) .
N2 Cu1 N4 C30 -50.6(6) .
N1 Cu1 N4 C30 64.8(5) .
N3 Cu1 N4 C30 -179.4(5) .
N2 Cu1 N4 C31 132.3(4) .
N1 Cu1 N4 C31 -112.3(4) .
N3 Cu1 N4 C31 3.5(4) .
C1 C13 C14 C15 -177.1(12) .
C14' C13 C14 C15 -9(2) .
C13 C14 C15 C16 172.7(14) .
C10 C17 C18 C19 15(3) .
C18' C17 C18 C19 153(3) .
C17 C18 C19 C20 177(2) .
C18 C19 C20 C36 83(4) 2_766
C21 C33 C34 C35 161.4(13) .
C34' C33 C34 C35 -22(3) .
C33 C34 C35 C36 84(2) .
C34 C35 C36 C20 116.1(18) 2_766
C30 C37 C38 C39 -16(3) .
C38' C37 C38 C39 159(3) .
C37 C38 C39 C40 -179(2) .
C1 C13 C14' C15' -26(3) .
C14 C13 C14' C15' 166.8(17) .
C13 C14' C15' C16' -166(2) .
C10 C17 C18' C19' -157(3) .
C18 C17 C18' C19' 61(4) .
C17 C18' C19' C20' 169(2) .
C21 C33 C34' C35' -174.0(16) .
C34 C33 C34' C35' 9(3) .
C33 C34' C35' C36' 38(4) .
C30 C37 C38' C39' 37(2) .
C38 C37 C38' C39' -138(2) .
C37 C38' C39' C40' -164.9(19) .
