#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:31:59 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229358 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/70/7047002.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_7047002
loop_
_publ_author_name
'Lorenz, Roxana'
'Kaifer, Elisabeth'
'Wadepohl, Hubert'
'Himmel, Hans-Jörg'
_publ_section_title
;
 Di- and tetranuclear transition metal complexes of a
 tetrakisguanidino-substituted phenazine dye by stepwise coordination.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11016
_journal_page_last               11029
_journal_paper_doi               10.1039/c8dt02176g
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C52 H72 Cl6 Cu4 N18'
_chemical_formula_weight         1416.13
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-05-28 deposited with the CCDC.
2018-07-11 downloaded from the CCDC.
;
_cell_angle_alpha                111.35(3)
_cell_angle_beta                 90.14(3)
_cell_angle_gamma                91.30(3)
_cell_formula_units_Z            1
_cell_length_a                   10.421(2)
_cell_length_b                   12.244(2)
_cell_length_c                   13.040(3)
_cell_measurement_reflns_used    9086
_cell_measurement_temperature    120
_cell_measurement_theta_max      30.11
_cell_measurement_theta_min      1.95
_cell_volume                     1549.2(6)
_computing_cell_refinement       'DENZO/SKALEPACK (Bruker AXS, 1997-2009)'
_computing_data_collection       'COLLECT (Bruker AXS, 1997-2009)'
_computing_data_reduction        'DENZO/SKALEPACK (Bruker AXS, 1997-2009)'
_computing_molecular_graphics    'XPMA (Zsolnai, Huttner, 1994)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS-2016 (sheldrick 2016)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'NONIUS KAPPA CCD'
_diffrn_measurement_method       'O-Scan    '
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0500
_diffrn_reflns_av_unetI/netI     0.0634
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            26330
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.112
_diffrn_reflns_theta_min         1.955
_exptl_absorpt_coefficient_mu    1.664
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_correction_T_min  0.732
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.518
_exptl_crystal_description       needle
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.610
_refine_diff_density_min         -0.794
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         9086
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0439
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0676P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1130
_refine_ls_wR_factor_ref         0.1269
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6272
_reflns_number_total             9086
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt02176g2.cif
_cod_data_source_block           rl160
_cod_depositor_comments
'Adding full bibliography for 7047000--7047008.cif.'
_cod_database_code               7047002
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.732
_shelx_estimated_absorpt_t_max   0.851
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Cu1 Cu 0.69392(3) 0.45570(3) 0.27031(2) 0.02718(9) Uani 1 1 d . .
Cu2 Cu 1.01921(3) 0.07477(3) -0.22585(2) 0.03338(10) Uani 1 1 d . .
Cl1 Cl 0.69871(6) 0.57300(6) 0.44778(5) 0.03872(16) Uani 1 1 d . .
Cl2 Cl 0.53943(6) 0.54271(6) 0.21107(5) 0.03606(15) Uani 1 1 d . .
Cl3 Cl 0.86524(7) 0.10105(7) -0.32990(6) 0.04378(18) Uani 1 1 d . .
N1 N 0.76815(18) 0.31844(17) 0.28977(15) 0.0271(4) Uani 1 1 d . .
N2 N 0.7060(2) 0.3017(2) 0.45454(17) 0.0351(5) Uani 1 1 d . .
N3 N 0.9222(2) 0.32287(19) 0.42343(16) 0.0319(5) Uani 1 1 d . .
N4 N 0.78550(18) 0.39205(18) 0.12706(16) 0.0271(4) Uani 1 1 d . .
N5 N 0.8063(2) 0.55913(19) 0.08488(17) 0.0324(5) Uani 1 1 d . .
N6 N 0.74443(19) 0.38456(18) -0.05389(16) 0.0293(4) Uani 1 1 d . .
N7 N 1.00968(18) 0.03648(17) -0.09118(15) 0.0258(4) Uani 1 1 d . .
N8 N 1.1992(2) 0.07720(19) -0.28803(17) 0.0353(5) Uani 1 1 d . .
N9 N 0.4037(3) 0.1418(3) 0.0505(2) 0.0570(7) Uani 1 1 d . .
C1 C 0.8323(2) 0.2447(2) 0.19847(18) 0.0260(5) Uani 1 1 d . .
C2 C 0.8385(2) 0.2828(2) 0.10483(18) 0.0258(5) Uani 1 1 d . .
C3 C 0.9006(2) 0.2134(2) 0.01139(18) 0.0266(5) Uani 1 1 d . .
H3 H 0.907712 0.238159 -0.047891 0.032 Uiso 1 1 calc R U
C4 C 0.9537(2) 0.1055(2) 0.00358(18) 0.0248(5) Uani 1 1 d . .
C5 C 1.0557(2) -0.0672(2) -0.09497(18) 0.0254(5) Uani 1 1 d . .
C6 C 1.1162(2) -0.1408(2) -0.19147(19) 0.0269(5) Uani 1 1 d . .
H6 H 1.120951 -0.117796 -0.251925 0.032 Uiso 1 1 calc R U
C7 C 0.7993(2) 0.3130(2) 0.38971(19) 0.0294(5) Uani 1 1 d . .
C8 C 0.5772(3) 0.2630(3) 0.4104(2) 0.0469(7) Uani 1 1 d . .
H8A H 0.523388 0.329816 0.427420 0.070 Uiso 1 1 calc R U
H8B H 0.542285 0.209979 0.442721 0.070 Uiso 1 1 calc R U
H8C H 0.581136 0.223877 0.331961 0.070 Uiso 1 1 calc R U
C9 C 0.7169(3) 0.3475(3) 0.5745(2) 0.0480(8) Uani 1 1 d . .
H9A H 0.725328 0.283582 0.599904 0.072 Uiso 1 1 calc R U
H9B H 0.641482 0.390261 0.605496 0.072 Uiso 1 1 calc R U
H9C H 0.791145 0.398811 0.596997 0.072 Uiso 1 1 calc R U
C10 C 0.9750(3) 0.2556(3) 0.4857(2) 0.0447(7) Uani 1 1 d . .
H10A H 0.906949 0.212303 0.504436 0.067 Uiso 1 1 calc R U
H10B H 1.015859 0.308249 0.551824 0.067 Uiso 1 1 calc R U
H10C H 1.036853 0.202056 0.441619 0.067 Uiso 1 1 calc R U
C11 C 1.0190(2) 0.3780(3) 0.3749(2) 0.0393(6) Uani 1 1 d . .
H11A H 1.049094 0.320985 0.307588 0.059 Uiso 1 1 calc R U
H11B H 1.089690 0.407459 0.425575 0.059 Uiso 1 1 calc R U
H11C H 0.981419 0.441531 0.359887 0.059 Uiso 1 1 calc R U
C12 C 0.7785(2) 0.4438(2) 0.05163(19) 0.0277(5) Uani 1 1 d . .
C13 C 0.8717(3) 0.6215(3) 0.1890(2) 0.0386(6) Uani 1 1 d . .
H13A H 0.809431 0.652703 0.245704 0.058 Uiso 1 1 calc R U
H13B H 0.923580 0.684497 0.182724 0.058 Uiso 1 1 calc R U
H13C H 0.925388 0.568467 0.207463 0.058 Uiso 1 1 calc R U
C14 C 0.7356(3) 0.6356(2) 0.0415(2) 0.0415(7) Uani 1 1 d . .
H14A H 0.673281 0.589548 -0.012013 0.062 Uiso 1 1 calc R U
H14B H 0.794497 0.673118 0.007518 0.062 Uiso 1 1 calc R U
H14C H 0.692794 0.694098 0.100718 0.062 Uiso 1 1 calc R U
C15 C 0.6566(2) 0.2831(2) -0.0855(2) 0.0353(6) Uani 1 1 d . .
H15A H 0.699887 0.215065 -0.132620 0.053 Uiso 1 1 calc R U
H15B H 0.583884 0.297154 -0.123988 0.053 Uiso 1 1 calc R U
H15C H 0.628021 0.270383 -0.020719 0.053 Uiso 1 1 calc R U
C16 C 0.7906(3) 0.4178(3) -0.1446(2) 0.0372(6) Uani 1 1 d . .
H16A H 0.721498 0.450196 -0.172298 0.056 Uiso 1 1 calc R U
H16B H 0.821449 0.349846 -0.202368 0.056 Uiso 1 1 calc R U
H16C H 0.858985 0.475354 -0.118498 0.056 Uiso 1 1 calc R U
C17 C 1.2149(3) 0.0902(3) -0.3847(2) 0.0437(7) Uani 1 1 d . .
H17 H 1.142446 0.091355 -0.426080 0.052 Uiso 1 1 calc R U
C18 C 1.3336(3) 0.1020(4) -0.4255(3) 0.0668(10) Uani 1 1 d . .
H18 H 1.340979 0.111865 -0.492706 0.080 Uiso 1 1 calc R U
C19 C 1.4416(3) 0.0991(4) -0.3657(3) 0.0696(11) Uani 1 1 d . .
H19 H 1.522754 0.109398 -0.390787 0.084 Uiso 1 1 calc R U
C20 C 1.4281(3) 0.0808(3) -0.2685(3) 0.0532(8) Uani 1 1 d . .
H20 H 1.499694 0.074469 -0.228534 0.064 Uiso 1 1 calc R U
C21 C 1.3053(3) 0.0720(3) -0.2312(2) 0.0423(6) Uani 1 1 d . .
H21 H 1.295921 0.062049 -0.164232 0.051 Uiso 1 1 calc R U
C31 C 0.4025(3) 0.2469(3) 0.1292(3) 0.0494(8) Uani 1 1 d . .
H31 H 0.441233 0.309197 0.115419 0.059 Uiso 1 1 calc R U
C32 C 0.3478(3) 0.2693(3) 0.2297(3) 0.0528(8) Uani 1 1 d . .
H32 H 0.347949 0.345064 0.281957 0.063 Uiso 1 1 calc R U
C33 C 0.2925(3) 0.1777(3) 0.2518(3) 0.0528(8) Uani 1 1 d . .
H33 H 0.255431 0.190006 0.319771 0.063 Uiso 1 1 calc R U
C34 C 0.2929(3) 0.0679(3) 0.1723(3) 0.0512(8) Uani 1 1 d . .
H34 H 0.256082 0.004039 0.184758 0.061 Uiso 1 1 calc R U
C35 C 0.3490(3) 0.0546(3) 0.0734(3) 0.0539(8) Uani 1 1 d . .
H35 H 0.348671 -0.020102 0.019271 0.065 Uiso 1 1 calc R U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 Cu1 N4 81.85(8) . .
N1 Cu1 Cl2 152.16(7) . .
N4 Cu1 Cl2 96.11(6) . .
N1 Cu1 Cl1 96.97(6) . .
N4 Cu1 Cl1 148.24(6) . .
Cl2 Cu1 Cl1 98.88(4) . .
N7 Cu2 N8 115.90(8) . .
N7 Cu2 Cl3 130.37(6) . .
N8 Cu2 Cl3 113.50(7) . .
C7 N1 C1 117.21(19) . .
C7 N1 Cu1 124.18(16) . .
C1 N1 Cu1 114.49(15) . .
C7 N2 C8 120.7(2) . .
C7 N2 C9 123.0(2) . .
C8 N2 C9 115.3(2) . .
C7 N3 C10 123.2(2) . .
C7 N3 C11 120.3(2) . .
C10 N3 C11 114.6(2) . .
C12 N4 C2 122.99(19) . .
C12 N4 Cu1 121.54(15) . .
C2 N4 Cu1 114.73(15) . .
C12 N5 C13 121.5(2) . .
C12 N5 C14 121.4(2) . .
C13 N5 C14 113.8(2) . .
C12 N6 C15 121.9(2) . .
C12 N6 C16 122.8(2) . .
C15 N6 C16 115.3(2) . .
C5 N7 C4 117.72(19) . .
C5 N7 Cu2 118.23(15) . .
C4 N7 Cu2 123.96(16) . .
C17 N8 C21 117.7(2) . .
C17 N8 Cu2 120.59(19) . .
C21 N8 Cu2 121.64(19) . .
C31 N9 C35 116.5(3) . .
C6 C1 N1 124.3(2) 2_755 .
C6 C1 C2 120.1(2) 2_755 .
N1 C1 C2 115.6(2) . .
C3 C2 N4 128.7(2) . .
C3 C2 C1 118.5(2) . .
N4 C2 C1 112.7(2) . .
C2 C3 C4 121.5(2) . .
C2 C3 H3 119.2 . .
C4 C3 H3 119.2 . .
N7 C4 C3 120.3(2) . .
N7 C4 C5 120.1(2) . 2_755
C3 C4 C5 119.6(2) . 2_755
N7 C5 C6 119.5(2) . .
N7 C5 C4 122.2(2) . 2_755
C6 C5 C4 118.3(2) . 2_755
C1 C6 C5 121.9(2) 2_755 .
C1 C6 H6 119.1 2_755 .
C5 C6 H6 119.1 . .
N2 C7 N3 120.4(2) . .
N2 C7 N1 119.1(2) . .
N3 C7 N1 120.5(2) . .
N2 C8 H8A 109.5 . .
N2 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
N2 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N2 C9 H9A 109.5 . .
N2 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N2 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
N3 C10 H10A 109.5 . .
N3 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
N3 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N3 C11 H11A 109.5 . .
N3 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N3 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N5 C12 N6 119.4(2) . .
N5 C12 N4 118.0(2) . .
N6 C12 N4 122.7(2) . .
N5 C13 H13A 109.5 . .
N5 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
N5 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N5 C14 H14A 109.5 . .
N5 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
N5 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
N6 C15 H15A 109.5 . .
N6 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N6 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N6 C16 H16A 109.5 . .
N6 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
N6 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N8 C17 C18 122.7(3) . .
N8 C17 H17 118.6 . .
C18 C17 H17 118.6 . .
C17 C18 C19 119.2(3) . .
C17 C18 H18 120.4 . .
C19 C18 H18 120.4 . .
C20 C19 C18 119.2(3) . .
C20 C19 H19 120.4 . .
C18 C19 H19 120.4 . .
C19 C20 C21 118.5(3) . .
C19 C20 H20 120.7 . .
C21 C20 H20 120.7 . .
N8 C21 C20 122.7(3) . .
N8 C21 H21 118.7 . .
C20 C21 H21 118.7 . .
N9 C31 C32 123.9(3) . .
N9 C31 H31 118.0 . .
C32 C31 H31 118.0 . .
C31 C32 C33 118.6(3) . .
C31 C32 H32 120.7 . .
C33 C32 H32 120.7 . .
C34 C33 C32 118.9(3) . .
C34 C33 H33 120.6 . .
C32 C33 H33 120.6 . .
C33 C34 C35 118.2(3) . .
C33 C34 H34 120.9 . .
C35 C34 H34 120.9 . .
N9 C35 C34 124.0(3) . .
N9 C35 H35 118.0 . .
C34 C35 H35 118.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 1.9637(19) .
Cu1 N4 1.998(2) .
Cu1 Cl2 2.2349(9) .
Cu1 Cl1 2.2354(11) .
Cu2 N7 1.9779(19) .
Cu2 N8 2.049(2) .
Cu2 Cl3 2.2022(9) .
N1 C7 1.368(3) .
N1 C1 1.388(3) .
N2 C7 1.328(3) .
N2 C8 1.458(3) .
N2 C9 1.460(3) .
N3 C7 1.342(3) .
N3 C10 1.465(3) .
N3 C11 1.468(3) .
N4 C12 1.352(3) .
N4 C2 1.390(3) .
N5 C12 1.342(3) .
N5 C13 1.452(3) .
N5 C14 1.467(3) .
N6 C12 1.343(3) .
N6 C15 1.458(3) .
N6 C16 1.463(3) .
N7 C5 1.351(3) .
N7 C4 1.359(3) .
N8 C17 1.338(3) .
N8 C21 1.345(3) .
N9 C31 1.323(4) .
N9 C35 1.326(4) .
C1 C6 1.365(3) 2_755
C1 C2 1.458(3) .
C2 C3 1.379(3) .
C3 C4 1.414(3) .
C3 H3 0.9300 .
C4 C5 1.433(3) 2_755
C5 C6 1.413(3) .
C6 H6 0.9300 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.373(4) .
C17 H17 0.9300 .
C18 C19 1.377(5) .
C18 H18 0.9300 .
C19 C20 1.372(5) .
C19 H19 0.9300 .
C20 C21 1.385(4) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C31 C32 1.366(4) .
C31 H31 0.9300 .
C32 C33 1.371(5) .
C32 H32 0.9300 .
C33 C34 1.366(5) .
C33 H33 0.9300 .
C34 C35 1.373(5) .
C34 H34 0.9300 .
C35 H35 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C7 N1 C1 C6 26.2(4) . 2_755
Cu1 N1 C1 C6 -175.66(19) . 2_755
C7 N1 C1 C2 -156.0(2) . .
Cu1 N1 C1 C2 2.2(3) . .
C12 N4 C2 C3 5.8(4) . .
Cu1 N4 C2 C3 176.0(2) . .
C12 N4 C2 C1 -178.7(2) . .
Cu1 N4 C2 C1 -8.4(2) . .
C6 C1 C2 C3 -1.9(3) 2_755 .
N1 C1 C2 C3 -179.8(2) . .
C6 C1 C2 N4 -177.9(2) 2_755 .
N1 C1 C2 N4 4.1(3) . .
N4 C2 C3 C4 177.5(2) . .
C1 C2 C3 C4 2.2(3) . .
C5 N7 C4 C3 -178.2(2) . .
Cu2 N7 C4 C3 -1.7(3) . .
C5 N7 C4 C5 -0.4(4) . 2_755
Cu2 N7 C4 C5 176.17(16) . 2_755
C2 C3 C4 N7 177.2(2) . .
C2 C3 C4 C5 -0.6(4) . 2_755
C4 N7 C5 C6 -179.1(2) . .
Cu2 N7 C5 C6 4.1(3) . .
C4 N7 C5 C4 0.4(4) . 2_755
Cu2 N7 C5 C4 -176.36(17) . 2_755
N7 C5 C6 C1 178.0(2) . 2_755
C4 C5 C6 C1 -1.6(3) 2_755 2_755
C8 N2 C7 N3 -165.2(2) . .
C9 N2 C7 N3 27.2(4) . .
C8 N2 C7 N1 17.0(4) . .
C9 N2 C7 N1 -150.6(2) . .
C10 N3 C7 N2 39.5(4) . .
C11 N3 C7 N2 -157.0(2) . .
C10 N3 C7 N1 -142.8(2) . .
C11 N3 C7 N1 20.7(4) . .
C1 N1 C7 N2 -130.3(2) . .
Cu1 N1 C7 N2 73.9(3) . .
C1 N1 C7 N3 52.0(3) . .
Cu1 N1 C7 N3 -103.9(2) . .
C13 N5 C12 N6 -165.4(2) . .
C14 N5 C12 N6 36.7(3) . .
C13 N5 C12 N4 15.1(3) . .
C14 N5 C12 N4 -142.9(2) . .
C15 N6 C12 N5 -149.2(2) . .
C16 N6 C12 N5 29.7(3) . .
C15 N6 C12 N4 30.3(3) . .
C16 N6 C12 N4 -150.7(2) . .
C2 N4 C12 N5 -138.1(2) . .
Cu1 N4 C12 N5 52.3(3) . .
C2 N4 C12 N6 42.3(3) . .
Cu1 N4 C12 N6 -127.3(2) . .
C21 N8 C17 C18 -2.1(5) . .
Cu2 N8 C17 C18 174.5(3) . .
N8 C17 C18 C19 0.8(6) . .
C17 C18 C19 C20 2.0(6) . .
C18 C19 C20 C21 -3.3(6) . .
C17 N8 C21 C20 0.7(4) . .
Cu2 N8 C21 C20 -175.9(2) . .
C19 C20 C21 N8 2.0(5) . .
C35 N9 C31 C32 -0.8(5) . .
N9 C31 C32 C33 1.2(5) . .
C31 C32 C33 C34 -0.8(4) . .
C32 C33 C34 C35 0.1(4) . .
C31 N9 C35 C34 0.0(5) . .
C33 C34 C35 N9 0.4(5) . .
