#------------------------------------------------------------------------------
#$Date: 2019-05-13 10:49:06 +0300 (Mon, 13 May 2019) $
#$Revision: 215051 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/68/1516842.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_1516842
loop_
_publ_author_name
'Kuldeep Mahiya'
'Pavan Mathur'
_publ_section_title
;
 Morphology dependant oxidation of aromatic alcohols by new symmetrical
 copper(II) metallatriangles formed by self-assembly of a shared
 bis-benzimidazolyl diamide ligand
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              36
_journal_page_last               44
_journal_volume                  399
_journal_year                    2013
_chemical_formula_moiety         'C90 H72 Cl3 Cu3 N18 O6, 3(Cl), 7.5(O)'
_chemical_formula_sum            'C90 H72 Cl6 Cu3 N18 O13.5'
_chemical_formula_weight         2024.97
_space_group_IT_number           148
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            12
_cell_length_a                   27.3168(8)
_cell_length_b                   27.3168(8)
_cell_length_c                   49.6611(19)
_cell_measurement_reflns_used    8706
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.0
_cell_measurement_theta_min      3.0
_cell_volume                     32092.7(18)
_computing_cell_refinement       'oxford diffraction'
_computing_data_collection       'oxford diffraction'
_computing_data_reduction        'oxford diffraction'
_computing_molecular_graphics    ortep
_computing_publication_material  'winGX v1.80.05'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'oxford diffraction'
_diffrn_measurement_method       'omega and phi scan'
_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  0.0503
_diffrn_reflns_av_sigmaI/netI    0.0580
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_limit_l_min       -61
_diffrn_reflns_number            55452
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    0.803
_exptl_absorpt_correction_T_max  0.8959
_exptl_absorpt_correction_T_min  0.8184
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             12420
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.493
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         14005
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.1082
_refine_ls_R_factor_gt           0.0678
_refine_ls_shift/su_max          0.018
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1442P)²+41.0682P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2197
_refine_ls_wR_factor_ref         0.2380
_reflns_number_gt                8706
_reflns_number_total             14005
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2013-399-36-44-2.cif
_cod_data_source_block           II
_cod_depositor_comments
;

2019-05-05
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C180 H144 Cl12 Cu6 N36 O27'
_cod_original_formula_weight         4049.95
_cod_original_formula_moiety         '2(C90 H72 Cl3 Cu3 N18 O6), 6(Cl), 15(O)'
_cod_original_formula_units_Z            6
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               1516842
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
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
C1 C 0.8591(2) 0.1216(2) 0.17260(10) 0.0412(12) Uani 1 1 d .
C2 C 0.8574(3) 0.1202(3) 0.20051(12) 0.0579(16) Uani 1 1 d .
H2 H 0.8254 0.0941 0.2099 0.070 Uiso 1 1 calc R
C3 C 0.9055(3) 0.1595(3) 0.21362(12) 0.0623(17) Uani 1 1 d .
H3 H 0.9063 0.1600 0.2323 0.075 Uiso 1 1 calc R
C4 C 0.9531(3) 0.1985(3) 0.19938(13) 0.073(2) Uani 1 1 d .
H4 H 0.9848 0.2246 0.2089 0.088 Uiso 1 1 calc R
C5 C 0.9548(2) 0.1999(3) 0.17164(12) 0.0570(15) Uani 1 1 d .
H5 H 0.9868 0.2262 0.1624 0.068 Uiso 1 1 calc R
C6 C 0.9067(2) 0.1604(2) 0.15818(10) 0.0401(12) Uani 1 1 d .
C7 C 0.84140(19) 0.10988(19) 0.12917(10) 0.0356(11) Uani 1 1 d .
C8 C 0.8103(2) 0.0867(2) 0.10364(10) 0.0425(12) Uani 1 1 d .
H8A H 0.7700 0.0693 0.1070 0.051 Uiso 1 1 calc R
H8B H 0.8207 0.1174 0.0910 0.051 Uiso 1 1 calc R
C9 C 0.8721(2) 0.05869(19) 0.08180(9) 0.0353(11) Uani 1 1 d .
C10 C 1.08968(19) 0.11815(19) 0.08525(9) 0.0329(10) Uani 1 1 d .
C11 C 1.0421(2) 0.1116(2) 0.07213(10) 0.0459(12) Uani 1 1 d .
H11 H 1.0117 0.1078 0.0822 0.055 Uiso 1 1 calc R
C12 C 1.0388(2) 0.1104(3) 0.04404(11) 0.0553(15) Uani 1 1 d .
H12 H 1.0072 0.1076 0.0355 0.066 Uiso 1 1 calc R
C13 C 1.0820(3) 0.1135(3) 0.02942(11) 0.0622(17) Uani 1 1 d .
H13 H 1.0797 0.1124 0.0107 0.075 Uiso 1 1 calc R
C14 C 1.1292(2) 0.1181(2) 0.04170(10) 0.0489(13) Uani 1 1 d .
H14 H 1.1583 0.1194 0.0314 0.059 Uiso 1 1 calc R
C15 C 1.13350(19) 0.12094(19) 0.06955(9) 0.0345(10) Uani 1 1 d .
C16 C 1.09206(18) 0.1190(2) 0.11519(9) 0.0363(11) Uani 1 1 d .
C17 C 1.1077(2) 0.0843(2) 0.12896(10) 0.0477(13) Uani 1 1 d .
H17 H 1.1167 0.0608 0.1192 0.057 Uiso 1 1 calc R
C18 C 1.1100(3) 0.0843(3) 0.15656(11) 0.0661(18) Uani 1 1 d .
H18 H 1.1230 0.0628 0.1653 0.079 Uiso 1 1 calc R
C19 C 1.0935(3) 0.1152(3) 0.17107(11) 0.072(2) Uani 1 1 d .
H19 H 1.0937 0.1139 0.1898 0.086 Uiso 1 1 calc R
C20 C 1.0763(3) 0.1487(3) 0.15838(11) 0.0606(16) Uani 1 1 d .
H20 H 1.0646 0.1696 0.1685 0.073 Uiso 1 1 calc R
C21 C 1.07630(19) 0.1514(2) 0.13022(9) 0.0375(11) Uani 1 1 d .
C22 C 1.0568(2) 0.1892(2) 0.11798(9) 0.0383(11) Uani 1 1 d .
C23 C 1.0805(2) 0.2746(2) 0.09294(12) 0.0505(14) Uani 1 1 d .
H23A H 1.1154 0.3089 0.0886 0.061 Uiso 1 1 calc R
H23B H 1.0608 0.2840 0.1064 0.061 Uiso 1 1 calc R
C24 C 1.0451(2) 0.2536(2) 0.06848(11) 0.0431(12) Uani 1 1 d .
C25 C 1.0203(2) 0.2443(2) 0.02573(12) 0.0520(14) Uani 1 1 d .
C26 C 1.0147(3) 0.2470(3) -0.00245(13) 0.0708(18) Uani 1 1 d .
H26 H 1.0452 0.2715 -0.0131 0.085 Uiso 1 1 calc R
C27 C 0.9636(3) 0.2127(3) -0.01315(14) 0.0736(19) Uani 1 1 d .
H27 H 0.9592 0.2130 -0.0317 0.088 Uiso 1 1 calc R
C28 C 0.9181(3) 0.1774(3) 0.00198(13) 0.0619(16) Uani 1 1 d .
H28 H 0.8837 0.1546 -0.0065 0.074 Uiso 1 1 calc R
C29 C 0.9213(2) 0.1745(2) 0.02919(12) 0.0499(13) Uani 1 1 d .
H29 H 0.8896 0.1506 0.0393 0.060 Uiso 1 1 calc R
C30 C 0.9734(2) 0.2084(2) 0.04146(10) 0.0390(11) Uani 1 1 d .
C31 C 0.5214(2) 0.0647(2) 0.08771(11) 0.0494(13) Uani 1 1 d .
C32 C 0.4812(3) 0.0726(3) 0.10164(14) 0.0708(18) Uani 1 1 d .
H32 H 0.4572 0.0819 0.0926 0.085 Uiso 1 1 calc R
C33 C 0.4784(4) 0.0662(3) 0.12878(17) 0.090(2) Uani 1 1 d .
H33 H 0.4530 0.0724 0.1386 0.108 Uiso 1 1 calc R
C34 C 0.5130(4) 0.0505(4) 0.14191(16) 0.108(3) Uani 1 1 d .
H34 H 0.5093 0.0457 0.1605 0.130 Uiso 1 1 calc R
C35 C 0.5533(3) 0.0414(3) 0.12916(14) 0.080(2) Uani 1 1 d .
H35 H 0.5761 0.0306 0.1383 0.096 Uiso 1 1 calc R
C36 C 0.5562(2) 0.0501(2) 0.10143(11) 0.0549(14) Uani 1 1 d .
C37 C 0.5750(2) 0.05692(19) 0.05847(10) 0.0384(11) Uani 1 1 d .
C38 C 0.6021(2) 0.0567(2) 0.03268(11) 0.0456(13) Uani 1 1 d .
H38A H 0.6216 0.0356 0.0350 0.055 Uiso 1 1 calc R
H38B H 0.5730 0.0375 0.0192 0.055 Uiso 1 1 calc R
C39 C 0.62464(19) 0.1464(2) 0.01296(9) 0.0366(11) Uani 1 1 d .
C40 C 0.6689(2) 0.2026(2) 0.00142(10) 0.0414(12) Uani 1 1 d .
C41 C 0.70423(19) 0.2493(2) 0.01731(10) 0.0374(11) Uani 1 1 d .
C42 C 0.7413(2) 0.2992(2) 0.00384(11) 0.0519(14) Uani 1 1 d .
H42 H 0.7643 0.3314 0.0138 0.062 Uiso 1 1 calc R
C43 C 0.7447(3) 0.3019(3) -0.02358(13) 0.0656(17) Uani 1 1 d .
H43 H 0.7706 0.3354 -0.0321 0.079 Uiso 1 1 calc R
C44 C 0.7100(3) 0.2554(3) -0.03848(13) 0.0740(19) Uani 1 1 d .
H44 H 0.7124 0.2572 -0.0572 0.089 Uiso 1 1 calc R
C45 C 0.6718(3) 0.2062(3) -0.02635(11) 0.0617(16) Uani 1 1 d .
H45 H 0.6477 0.1750 -0.0367 0.074 Uiso 1 1 calc R
C46 C 0.4751(2) 0.1006(2) -0.02823(12) 0.0467(13) Uani 1 1 d .
C47 C 0.5096(2) 0.0861(2) -0.04163(13) 0.0566(15) Uani 1 1 d .
H47 H 0.5311 0.0736 -0.0325 0.068 Uiso 1 1 calc R
C48 C 0.5112(3) 0.0907(3) -0.06915(16) 0.078(2) Uani 1 1 d .
H48 H 0.5343 0.0812 -0.0790 0.094 Uiso 1 1 calc R
C49 C 0.4790(4) 0.1092(4) -0.08226(16) 0.101(3) Uani 1 1 d .
H49 H 0.4816 0.1126 -0.1009 0.121 Uiso 1 1 calc R
C50 C 0.4434(3) 0.1227(3) -0.06895(15) 0.083(2) Uani 1 1 d .
H50 H 0.4210 0.1341 -0.0781 0.100 Uiso 1 1 calc R
C51 C 0.4424(2) 0.1187(2) -0.04195(13) 0.0573(15) Uani 1 1 d .
C52 C 0.4268(2) 0.1171(2) 0.00195(12) 0.0461(13) Uani 1 1 d .
C53 C 0.4040(2) 0.1242(2) 0.02781(12) 0.0544(14) Uani 1 1 d .
H53A H 0.3670 0.1201 0.0247 0.065 Uiso 1 1 calc R
H53B H 0.3994 0.0948 0.0402 0.065 Uiso 1 1 calc R
C54 C 0.4894(2) 0.19134(19) 0.05092(10) 0.0394(11) Uani 1 1 d .
C55 C 0.5233(2) 0.2495(2) 0.06264(10) 0.0392(11) Uani 1 1 d .
C56 C 0.54686(19) 0.2983(2) 0.04699(10) 0.0378(11) Uani 1 1 d .
C57 C 0.5753(2) 0.3500(2) 0.06004(11) 0.0464(13) Uani 1 1 d .
H57 H 0.5922 0.3831 0.0499 0.056 Uiso 1 1 calc R
C58 C 0.5790(3) 0.3531(3) 0.08768(12) 0.0604(15) Uani 1 1 d .
H58 H 0.5967 0.3883 0.0960 0.072 Uiso 1 1 calc R
C59 C 0.5569(3) 0.3047(3) 0.10313(11) 0.0613(16) Uani 1 1 d .
H59 H 0.5602 0.3070 0.1218 0.074 Uiso 1 1 calc R
C60 C 0.5301(2) 0.2535(2) 0.09078(11) 0.0522(14) Uani 1 1 d .
H60 H 0.5161 0.2207 0.1010 0.063 Uiso 1 1 calc R
Cl1 Cl 0.94747(9) 0.27183(7) 0.10672(5) 0.1063(8) Uani 1 1 d .
Cl2 Cl 0.41751(6) -0.00444(6) 0.03526(3) 0.0579(4) Uani 1 1 d .
Cl3 Cl 1.22405(6) 0.29483(6) 0.09253(4) 0.0794(6) Uani 1 1 d .
Cl4 Cl 0.36689(5) 0.23753(6) 0.03748(4) 0.0605(4) Uani 1 1 d .
Cu1 Cu 0.94342(2) 0.18692(2) 0.100153(12) 0.03879(19) Uani 1 1 d .
Cu2 Cu 0.49712(2) 0.08233(2) 0.030254(13) 0.0419(2) Uani 1 1 d .
O1 O 1.00742(14) 0.17816(16) 0.12199(7) 0.0496(9) Uani 1 1 d .
O2 O 0.91250(14) 0.10811(13) 0.08121(7) 0.0444(8) Uani 1 1 d .
O3 O 0.57442(14) 0.13316(15) 0.01086(7) 0.0476(9) Uani 1 1 d .
O4 O 0.50656(14) 0.15704(13) 0.05304(7) 0.0475(9) Uani 1 1 d .
O5 O 0.67947(19) 0.0264(2) 0.07551(11) 0.0909(16) Uani 1 1 d .
O6 O 1.16352(18) 0.36949(19) 0.02571(11) 0.0884(15) Uani 1 1 d .
O7 O 0.7097(2) -0.0040(3) 0.15220(16) 0.148(3) Uani 1 1 d .
O8 O 1.0463(3) 0.3887(4) 0.0855(2) 0.191(4) Uani 1 1 d .
O9 O 1.1555(4) 0.4189(3) 0.07335(18) 0.167(3) Uani 1 1 d .
N1 N 0.99077(15) 0.21561(16) 0.06823(8) 0.0379(9) Uani 1 1 d .
N2 N 0.89422(16) 0.15172(16) 0.13098(8) 0.0381(9) Uani 1 1 d .
N3 N 0.53450(16) 0.06909(16) 0.06060(9) 0.0410(10) Uani 1 1 d .
N4 N 0.46388(16) 0.10007(17) -0.00063(9) 0.0452(11) Uani 1 1 d .
N5 N 0.41307(19) 0.1291(2) -0.02236(11) 0.0608(13) Uani 1 1 d .
H5A H 0.3899 0.1412 -0.0251 0.073 Uiso 1 1 calc R
N6 N 0.59021(19) 0.04574(18) 0.08182(9) 0.0510(11) Uani 1 1 d .
H6 H 0.6163 0.0373 0.0844 0.061 Uiso 1 1 calc R
N7 N 0.64190(16) 0.11310(17) 0.02318(8) 0.0432(10) Uani 1 1 d .
H7 H 0.6775 0.1251 0.0242 0.052 Uiso 1 1 calc R
N8 N 0.44066(17) 0.17869(18) 0.03973(9) 0.0477(11) Uani 1 1 d .
H8 H 0.4304 0.2038 0.0395 0.057 Uiso 1 1 calc R
N9 N 1.06438(19) 0.27144(18) 0.04332(9) 0.0533(12) Uani 1 1 d .
H9 H 1.0986 0.2958 0.0391 0.064 Uiso 1 1 calc R
N10 N 0.81880(17) 0.09020(17) 0.15356(9) 0.0438(10) Uani 1 1 d .
H10 H 0.7852 0.0629 0.1567 0.053 Uiso 1 1 calc R
N11 N 0.82202(16) 0.04515(16) 0.09175(8) 0.0398(9) Uani 1 1 d .
H11A H 0.7954 0.0104 0.0911 0.048 Uiso 1 1 calc R
N12 N 1.09398(16) 0.23309(17) 0.10433(9) 0.0459(11) Uani 1 1 d .
H12A H 1.1273 0.2378 0.1020 0.055 Uiso 1 1 calc R
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_3
N10 C1 C2 131.6(5) .
N10 C1 C6 105.8(4) .
C2 C1 C6 122.6(5) .
C3 C2 C1 116.5(6) .
C3 C2 H2 121.8 .
C1 C2 H2 121.8 .
C2 C3 C4 121.3(6) .
C2 C3 H3 119.4 .
C4 C3 H3 119.4 .
C5 C4 C3 122.2(6) .
C5 C4 H4 118.9 .
C3 C4 H4 118.9 .
C6 C5 C4 117.1(6) .
C6 C5 H5 121.4 .
C4 C5 H5 121.4 .
N2 C6 C5 131.4(5) .
N2 C6 C1 108.3(4) .
C5 C6 C1 120.3(5) .
N2 C7 N10 111.6(4) .
N2 C7 C8 125.0(4) .
N10 C7 C8 123.4(4) .
N11 C8 C7 112.3(4) .
N11 C8 H8A 109.1 .
C7 C8 H8A 109.1 .
N11 C8 H8B 109.1 .
C7 C8 H8B 109.1 .
H8A C8 H8B 107.9 .
O2 C9 N11 122.9(4) .
O2 C9 C15 119.2(4) 2_645
N11 C9 C15 117.8(4) 2_645
C11 C10 C15 117.9(4) .
C11 C10 C16 120.3(4) .
C15 C10 C16 121.8(4) .
C10 C11 C12 121.3(5) .
C10 C11 H11 119.4 .
C12 C11 H11 119.4 .
C13 C12 C11 119.4(5) .
C13 C12 H12 120.3 .
C11 C12 H12 120.3 .
C12 C13 C14 121.1(5) .
C12 C13 H13 119.4 .
C14 C13 H13 119.4 .
C13 C14 C15 119.8(5) .
C13 C14 H14 120.1 .
C15 C14 H14 120.1 .
C14 C15 C10 120.5(4) .
C14 C15 C9 117.5(4) 3_765
C10 C15 C9 122.0(4) 3_765
C21 C16 C17 117.9(4) .
C21 C16 C10 121.7(4) .
C17 C16 C10 120.3(4) .
C18 C17 C16 121.3(5) .
C18 C17 H17 119.3 .
C16 C17 H17 119.3 .
C19 C18 C17 120.1(5) .
C19 C18 H18 119.9 .
C17 C18 H18 119.9 .
C18 C19 C20 120.4(5) .
C18 C19 H19 119.8 .
C20 C19 H19 119.8 .
C19 C20 C21 120.2(5) .
C19 C20 H20 119.9 .
C21 C20 H20 119.9 .
C16 C21 C20 119.9(5) .
C16 C21 C22 123.4(4) .
C20 C21 C22 116.6(4) .
O1 C22 N12 123.7(5) .
O1 C22 C21 118.9(4) .
N12 C22 C21 117.4(4) .
N12 C23 C24 112.6(4) .
N12 C23 H23A 109.1 .
C24 C23 H23A 109.1 .
N12 C23 H23B 109.1 .
C24 C23 H23B 109.1 .
H23A C23 H23B 107.8 .
N1 C24 N9 111.0(5) .
N1 C24 C23 125.0(5) .
N9 C24 C23 124.0(5) .
N9 C25 C30 105.8(5) .
N9 C25 C26 133.8(5) .
C30 C25 C26 120.4(6) .
C27 C26 C25 117.2(6) .
C27 C26 H26 121.4 .
C25 C26 H26 121.4 .
C26 C27 C28 122.7(6) .
C26 C27 H27 118.6 .
C28 C27 H27 118.6 .
C27 C28 C29 121.9(6) .
C27 C28 H28 119.0 .
C29 C28 H28 119.0 .
C28 C29 C30 118.1(5) .
C28 C29 H29 120.9 .
C30 C29 H29 120.9 .
N1 C30 C29 132.5(5) .
N1 C30 C25 107.9(4) .
C29 C30 C25 119.7(5) .
C36 C31 N3 108.6(5) .
C36 C31 C32 120.4(6) .
N3 C31 C32 130.9(6) .
C33 C32 C31 118.0(7) .
C33 C32 H32 121.0 .
C31 C32 H32 121.0 .
C32 C33 C34 120.4(8) .
C32 C33 H33 119.8 .
C34 C33 H33 119.8 .
C33 C34 C35 124.3(7) .
C33 C34 H34 117.8 .
C35 C34 H34 117.8 .
C36 C35 C34 113.7(7) .
C36 C35 H35 123.2 .
C34 C35 H35 123.2 .
C31 C36 C35 123.2(6) .
C31 C36 N6 105.3(5) .
C35 C36 N6 131.4(6) .
N3 C37 N6 113.0(5) .
N3 C37 C38 123.9(4) .
N6 C37 C38 123.0(5) .
N7 C38 C37 112.8(4) .
N7 C38 H38A 109.0 .
C37 C38 H38A 109.0 .
N7 C38 H38B 109.0 .
C37 C38 H38B 109.0 .
H38A C38 H38B 107.8 .
O3 C39 N7 123.9(4) .
O3 C39 C40 118.2(4) .
N7 C39 C40 117.7(4) .
C45 C40 C41 120.7(5) .
C45 C40 C39 116.0(5) .
C41 C40 C39 123.3(4) .
C42 C41 C40 117.0(5) .
C42 C41 C56 119.9(4) 2_655
C40 C41 C56 123.1(4) 2_655
C43 C42 C41 121.9(5) .
C43 C42 H42 119.1 .
C41 C42 H42 119.1 .
C44 C43 C42 119.6(6) .
C44 C43 H43 120.2 .
C42 C43 H43 120.2 .
C43 C44 C45 120.8(6) .
C43 C44 H44 119.6 .
C45 C44 H44 119.6 .
C44 C45 C40 120.0(6) .
C44 C45 H45 120.0 .
C40 C45 H45 120.0 .
C47 C46 C51 121.5(6) .
C47 C46 N4 130.7(5) .
C51 C46 N4 107.8(5) .
C46 C47 C48 117.1(6) .
C46 C47 H47 121.5 .
C48 C47 H47 121.5 .
C49 C48 C47 120.5(7) .
C49 C48 H48 119.7 .
C47 C48 H48 119.8 .
C50 C49 C48 122.7(7) .
C50 C49 H49 118.6 .
C48 C49 H49 118.6 .
C51 C50 C49 116.5(7) .
C51 C50 H50 121.8 .
C49 C50 H50 121.8 .
C50 C51 N5 132.6(6) .
C50 C51 C46 121.7(7) .
N5 C51 C46 105.6(5) .
N4 C52 N5 110.8(5) .
N4 C52 C53 125.4(5) .
N5 C52 C53 123.8(5) .
N8 C53 C52 111.7(4) .
N8 C53 H53A 109.3 .
C52 C53 H53A 109.3 .
N8 C53 H53B 109.3 .
C52 C53 H53B 109.3 .
H53A C53 H53B 107.9 .
O4 C54 N8 123.3(5) .
O4 C54 C55 119.9(4) .
N8 C54 C55 116.7(4) .
C56 C55 C60 120.0(5) .
C56 C55 C54 122.9(4) .
C60 C55 C54 117.1(4) .
C57 C56 C55 118.1(5) .
C57 C56 C41 120.3(4) 3_665
C55 C56 C41 121.5(4) 3_665
C58 C57 C56 121.1(5) .
C58 C57 H57 119.5 .
C56 C57 H57 119.5 .
C57 C58 C59 120.7(5) .
C57 C58 H58 119.6 .
C59 C58 H58 119.6 .
C60 C59 C58 119.3(5) .
C60 C59 H59 120.4 .
C58 C59 H59 120.4 .
C59 C60 C55 120.8(5) .
C59 C60 H60 119.6 .
C55 C60 H60 119.6 .
N1 Cu1 N2 175.06(16) .
N1 Cu1 O2 83.89(15) .
N2 Cu1 O2 91.23(14) .
N1 Cu1 O1 92.38(14) .
N2 Cu1 O1 87.02(15) .
O2 Cu1 O1 92.52(14) .
N1 Cu1 Cl1 91.28(12) .
N2 Cu1 Cl1 93.45(12) .
O2 Cu1 Cl1 153.23(12) .
O1 Cu1 Cl1 114.03(12) .
N3 Cu2 N4 176.46(17) .
N3 Cu2 O3 91.75(15) .
N4 Cu2 O3 85.09(15) .
N3 Cu2 O4 86.91(15) .
N4 Cu2 O4 91.52(15) .
O3 Cu2 O4 90.55(14) .
N3 Cu2 Cl2 92.20(12) .
N4 Cu2 Cl2 91.33(12) .
O3 Cu2 Cl2 148.93(11) .
O4 Cu2 Cl2 120.43(10) .
C22 O1 Cu1 136.9(3) .
C9 O2 Cu1 141.7(3) .
C39 O3 Cu2 139.4(3) .
C54 O4 Cu2 137.0(3) .
C24 N1 C30 106.9(4) .
C24 N1 Cu1 124.7(4) .
C30 N1 Cu1 127.6(3) .
C7 N2 C6 106.5(4) .
C7 N2 Cu1 124.0(3) .
C6 N2 Cu1 129.2(3) .
C37 N3 C31 105.8(4) .
C37 N3 Cu2 124.8(4) .
C31 N3 Cu2 129.1(3) .
C52 N4 C46 107.1(4) .
C52 N4 Cu2 123.0(4) .
C46 N4 Cu2 129.8(3) .
C52 N5 C51 108.6(5) .
C52 N5 H5A 125.7 .
C51 N5 H5A 125.7 .
C37 N6 C36 107.2(4) .
C37 N6 H6 126.4 .
C36 N6 H6 126.4 .
C39 N7 C38 121.4(4) .
C39 N7 H7 119.3 .
C38 N7 H7 119.3 .
C54 N8 C53 122.2(4) .
C54 N8 H8 118.9 .
C53 N8 H8 118.9 .
C24 N9 C25 108.4(4) .
C24 N9 H9 125.8 .
C25 N9 H9 125.8 .
C7 N10 C1 107.8(4) .
C7 N10 H10 126.1 .
C1 N10 H10 126.1 .
C9 N11 C8 122.4(4) .
C9 N11 H11A 118.8 .
C8 N11 H11A 118.8 .
C22 N12 C23 121.9(4) .
C22 N12 H12A 119.1 .
C23 N12 H12A 119.1 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N10 1.377(6) .
C1 C2 1.387(7) .
C1 C6 1.397(7) .
C2 C3 1.376(9) .
C2 H2 0.9300 .
C3 C4 1.393(10) .
C3 H3 0.9300 .
C4 C5 1.378(8) .
C4 H4 0.9300 .
C5 C6 1.385(7) .
C5 H5 0.9300 .
C6 N2 1.384(6) .
C7 N2 1.322(6) .
C7 N10 1.344(6) .
C7 C8 1.481(7) .
C8 N11 1.450(6) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 O2 1.245(5) .
C9 N11 1.323(6) .
C9 C15 1.494(6) 2_645
C10 C11 1.383(7) .
C10 C15 1.399(6) .
C10 C16 1.488(6) .
C11 C12 1.397(7) .
C11 H11 0.9300 .
C12 C13 1.352(8) .
C12 H12 0.9300 .
C13 C14 1.374(8) .
C13 H13 0.9300 .
C14 C15 1.387(7) .
C14 H14 0.9300 .
C15 C9 1.494(6) 3_765
C16 C21 1.380(6) .
C16 C17 1.397(7) .
C17 C18 1.372(7) .
C17 H17 0.9300 .
C18 C19 1.350(9) .
C18 H18 0.9300 .
C19 C20 1.371(8) .
C19 H19 0.9300 .
C20 C21 1.400(7) .
C20 H20 0.9300 .
C21 C22 1.506(7) .
C22 O1 1.243(5) .
C22 N12 1.309(6) .
C23 N12 1.470(6) .
C23 C24 1.478(7) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 N1 1.318(6) .
C24 N9 1.349(7) .
C25 N9 1.368(7) .
C25 C30 1.398(7) .
C25 C26 1.414(8) .
C26 C27 1.343(9) .
C26 H26 0.9300 .
C27 C28 1.357(9) .
C27 H27 0.9300 .
C28 C29 1.359(8) .
C28 H28 0.9300 .
C29 C30 1.391(7) .
C29 H29 0.9300 .
C30 N1 1.392(6) .
C31 C36 1.381(8) .
C31 N3 1.383(7) .
C31 C32 1.402(8) .
C32 C33 1.356(10) .
C32 H32 0.9300 .
C33 C34 1.382(12) .
C33 H33 0.9300 .
C34 C35 1.395(12) .
C34 H34 0.9300 .
C35 C36 1.393(8) .
C35 H35 0.9300 .
C36 N6 1.391(7) .
C37 N3 1.310(6) .
C37 N6 1.318(6) .
C37 C38 1.480(7) .
C38 N7 1.451(6) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 O3 1.236(5) .
C39 N7 1.318(6) .
C39 C40 1.513(7) .
C40 C45 1.382(7) .
C40 C41 1.397(7) .
C41 C42 1.397(7) .
C41 C56 1.475(7) 2_655
C42 C43 1.365(8) .
C42 H42 0.9300 .
C43 C44 1.363(9) .
C43 H43 0.9300 .
C44 C45 1.362(9) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 C47 1.366(8) .
C46 C51 1.395(7) .
C46 N4 1.403(7) .
C47 C48 1.371(9) .
C47 H47 0.9300 .
C48 C49 1.378(11) .
C48 H48 0.9300 .
C49 C50 1.372(11) .
C49 H49 0.9300 .
C50 C51 1.345(9) .
C50 H50 0.9300 .
C51 N5 1.378(8) .
C52 N4 1.315(6) .
C52 N5 1.352(7) .
C52 C53 1.482(8) .
C53 N8 1.442(7) .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C54 O4 1.244(5) .
C54 N8 1.320(6) .
C54 C55 1.499(7) .
C55 C56 1.393(7) .
C55 C60 1.407(7) .
C56 C57 1.385(7) .
C56 C41 1.475(7) 3_665
C57 C58 1.376(7) .
C57 H57 0.9300 .
C58 C59 1.381(8) .
C58 H58 0.9300 .
C59 C60 1.357(8) .
C59 H59 0.9300 .
C60 H60 0.9300 .
Cl1 Cu1 2.2894(16) .
Cl2 Cu2 2.2924(14) .
Cu1 N1 1.946(4) .
Cu1 N2 1.945(4) .
Cu1 O2 2.101(3) .
Cu1 O1 2.170(3) .
Cu2 N3 1.953(4) .
Cu2 N4 1.962(4) .
Cu2 O3 2.093(3) .
Cu2 O4 2.233(3) .
N5 H5A 0.8600 .
N6 H6 0.8600 .
N7 H7 0.8600 .
N8 H8 0.8600 .
N9 H9 0.8600 .
N10 H10 0.8600 .
N11 H11A 0.8600 .
N12 H12A 0.8600 .
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
N10 C1 C2 C3 -177.8(5) . .
C6 C1 C2 C3 0.1(7) . .
C1 C2 C3 C4 0.2(8) . .
C2 C3 C4 C5 -0.2(9) . .
C3 C4 C5 C6 0.0(9) . .
C4 C5 C6 N2 177.7(5) . .
C4 C5 C6 C1 0.3(8) . .
N10 C1 C6 N2 0.0(5) . .
C2 C1 C6 N2 -178.3(4) . .
N10 C1 C6 C5 178.0(4) . .
C2 C1 C6 C5 -0.3(7) . .
N2 C7 C8 N11 83.5(6) . .
N10 C7 C8 N11 -96.1(5) . .
C15 C10 C11 C12 -3.0(8) . .
C16 C10 C11 C12 -179.8(5) . .
C10 C11 C12 C13 2.7(9) . .
C11 C12 C13 C14 -0.5(10) . .
C12 C13 C14 C15 -1.3(10) . .
C13 C14 C15 C10 1.0(8) . .
C13 C14 C15 C9 -178.1(5) . 3_765
C11 C10 C15 C14 1.1(7) . .
C16 C10 C15 C14 177.8(5) . .
C11 C10 C15 C9 -179.8(4) . 3_765
C16 C10 C15 C9 -3.1(7) . 3_765
C11 C10 C16 C21 -47.1(7) . .
C15 C10 C16 C21 136.3(5) . .
C11 C10 C16 C17 129.5(5) . .
C15 C10 C16 C17 -47.1(7) . .
C21 C16 C17 C18 -3.1(8) . .
C10 C16 C17 C18 -179.8(5) . .
C16 C17 C18 C19 4.4(10) . .
C17 C18 C19 C20 -2.5(11) . .
C18 C19 C20 C21 -0.6(11) . .
C17 C16 C21 C20 -0.1(7) . .
C10 C16 C21 C20 176.6(5) . .
C17 C16 C21 C22 -178.1(5) . .
C10 C16 C21 C22 -1.4(7) . .
C19 C20 C21 C16 1.9(9) . .
C19 C20 C21 C22 -180.0(6) . .
C16 C21 C22 O1 115.5(5) . .
C20 C21 C22 O1 -62.6(6) . .
C16 C21 C22 N12 -66.7(6) . .
C20 C21 C22 N12 115.3(5) . .
N12 C23 C24 N1 74.2(6) . .
N12 C23 C24 N9 -106.5(5) . .
N9 C25 C26 C27 179.1(6) . .
C30 C25 C26 C27 -2.0(9) . .
C25 C26 C27 C28 1.6(10) . .
C26 C27 C28 C29 -0.1(10) . .
C27 C28 C29 C30 -1.0(8) . .
C28 C29 C30 N1 179.6(5) . .
C28 C29 C30 C25 0.6(7) . .
N9 C25 C30 N1 0.8(5) . .
C26 C25 C30 N1 -178.4(5) . .
N9 C25 C30 C29 -179.9(4) . .
C26 C25 C30 C29 0.9(8) . .
C36 C31 C32 C33 0.9(9) . .
N3 C31 C32 C33 -178.8(6) . .
C31 C32 C33 C34 -2.2(12) . .
C32 C33 C34 C35 1.5(14) . .
C33 C34 C35 C36 0.4(12) . .
N3 C31 C36 C35 -179.1(5) . .
C32 C31 C36 C35 1.1(9) . .
N3 C31 C36 N6 -0.2(6) . .
C32 C31 C36 N6 180.0(5) . .
C34 C35 C36 C31 -1.7(10) . .
C34 C35 C36 N6 179.7(7) . .
N3 C37 C38 N7 76.4(6) . .
N6 C37 C38 N7 -102.4(5) . .
O3 C39 C40 C45 -71.2(6) . .
N7 C39 C40 C45 104.7(6) . .
O3 C39 C40 C41 106.9(6) . .
N7 C39 C40 C41 -77.2(6) . .
C45 C40 C41 C42 1.0(7) . .
C39 C40 C41 C42 -177.0(5) . .
C45 C40 C41 C56 177.8(5) . 2_655
C39 C40 C41 C56 -0.3(7) . 2_655
C40 C41 C42 C43 -2.5(8) . .
C56 C41 C42 C43 -179.4(5) 2_655 .
C41 C42 C43 C44 1.9(10) . .
C42 C43 C44 C45 0.2(11) . .
C43 C44 C45 C40 -1.6(11) . .
C41 C40 C45 C44 1.0(9) . .
C39 C40 C45 C44 179.2(6) . .
C51 C46 C47 C48 0.7(8) . .
N4 C46 C47 C48 179.3(5) . .
C46 C47 C48 C49 -0.1(10) . .
C47 C48 C49 C50 -1.3(13) . .
C48 C49 C50 C51 2.0(13) . .
C49 C50 C51 N5 179.3(7) . .
C49 C50 C51 C46 -1.3(11) . .
C47 C46 C51 C50 0.0(9) . .
N4 C46 C51 C50 -178.9(6) . .
C47 C46 C51 N5 179.5(5) . .
N4 C46 C51 N5 0.6(6) . .
N4 C52 C53 N8 84.7(6) . .
N5 C52 C53 N8 -93.3(6) . .
O4 C54 C55 C56 117.1(5) . .
N8 C54 C55 C56 -65.9(6) . .
O4 C54 C55 C60 -64.1(6) . .
N8 C54 C55 C60 113.0(5) . .
C60 C55 C56 C57 -1.6(7) . .
C54 C55 C56 C57 177.2(4) . .
C60 C55 C56 C41 174.5(4) . 3_665
C54 C55 C56 C41 -6.7(7) . 3_665
C55 C56 C57 C58 -1.7(8) . .
C41 C56 C57 C58 -177.9(5) 3_665 .
C56 C57 C58 C59 3.3(9) . .
C57 C58 C59 C60 -1.4(10) . .
C58 C59 C60 C55 -1.9(9) . .
C56 C55 C60 C59 3.5(8) . .
C54 C55 C60 C59 -175.4(5) . .
N12 C22 O1 Cu1 34.6(8) . .
C21 C22 O1 Cu1 -147.6(4) . .
N1 Cu1 O1 C22 4.0(5) . .
N2 Cu1 O1 C22 179.1(5) . .
O2 Cu1 O1 C22 87.9(5) . .
Cl1 Cu1 O1 C22 -88.5(5) . .
N11 C9 O2 Cu1 23.3(8) . .
C15 C9 O2 Cu1 -159.9(4) 2_645 .
N1 Cu1 O2 C9 -162.9(5) . .
N2 Cu1 O2 C9 17.9(5) . .
O1 Cu1 O2 C9 104.9(5) . .
Cl1 Cu1 O2 C9 -82.3(6) . .
N7 C39 O3 Cu2 29.9(8) . .
C40 C39 O3 Cu2 -154.5(4) . .
N3 Cu2 O3 C39 9.9(5) . .
N4 Cu2 O3 C39 -171.7(5) . .
O4 Cu2 O3 C39 96.9(5) . .
Cl2 Cu2 O3 C39 -87.2(5) . .
N8 C54 O4 Cu2 30.0(8) . .
C55 C54 O4 Cu2 -153.2(4) . .
N3 Cu2 O4 C54 -170.8(5) . .
N4 Cu2 O4 C54 12.4(5) . .
O3 Cu2 O4 C54 97.5(5) . .
Cl2 Cu2 O4 C54 -80.0(5) . .
N9 C24 N1 C30 -0.3(5) . .
C23 C24 N1 C30 179.1(4) . .
N9 C24 N1 Cu1 -170.5(3) . .
C23 C24 N1 Cu1 8.9(7) . .
C29 C30 N1 C24 -179.5(5) . .
C25 C30 N1 C24 -0.3(5) . .
C29 C30 N1 Cu1 -9.7(7) . .
C25 C30 N1 Cu1 169.5(3) . .
N2 Cu1 N1 C24 -126.7(18) . .
O2 Cu1 N1 C24 -136.1(4) . .
O1 Cu1 N1 C24 -43.8(4) . .
Cl1 Cu1 N1 C24 70.3(4) . .
N2 Cu1 N1 C30 65(2) . .
O2 Cu1 N1 C30 55.9(4) . .
O1 Cu1 N1 C30 148.1(4) . .
Cl1 Cu1 N1 C30 -97.7(4) . .
N10 C7 N2 C6 -0.8(5) . .
C8 C7 N2 C6 179.6(4) . .
N10 C7 N2 Cu1 174.4(3) . .
C8 C7 N2 Cu1 -5.3(6) . .
C5 C6 N2 C7 -177.3(5) . .
C1 C6 N2 C7 0.4(5) . .
C5 C6 N2 Cu1 7.9(8) . .
C1 C6 N2 Cu1 -174.4(3) . .
N1 Cu1 N2 C7 -49(2) . .
O2 Cu1 N2 C7 -40.0(4) . .
O1 Cu1 N2 C7 -132.5(4) . .
Cl1 Cu1 N2 C7 113.6(4) . .
N1 Cu1 N2 C6 124.7(18) . .
O2 Cu1 N2 C6 134.0(4) . .
O1 Cu1 N2 C6 41.5(4) . .
Cl1 Cu1 N2 C6 -72.4(4) . .
N6 C37 N3 C31 -1.0(5) . .
C38 C37 N3 C31 -179.9(4) . .
N6 C37 N3 Cu2 -175.2(3) . .
C38 C37 N3 Cu2 5.9(6) . .
C36 C31 N3 C37 0.7(6) . .
C32 C31 N3 C37 -179.5(6) . .
C36 C31 N3 Cu2 174.5(4) . .
C32 C31 N3 Cu2 -5.7(8) . .
N4 Cu2 N3 C37 -71(3) . .
O3 Cu2 N3 C37 -44.4(4) . .
O4 Cu2 N3 C37 -134.8(4) . .
Cl2 Cu2 N3 C37 104.8(4) . .
N4 Cu2 N3 C31 116(3) . .
O3 Cu2 N3 C31 142.8(4) . .
O4 Cu2 N3 C31 52.4(4) . .
Cl2 Cu2 N3 C31 -68.0(4) . .
N5 C52 N4 C46 -0.2(6) . .
C53 C52 N4 C46 -178.5(5) . .
N5 C52 N4 Cu2 176.9(3) . .
C53 C52 N4 Cu2 -1.4(7) . .
C47 C46 N4 C52 -179.0(5) . .
C51 C46 N4 C52 -0.3(5) . .
C47 C46 N4 Cu2 4.2(8) . .
C51 C46 N4 Cu2 -177.1(4) . .
N3 Cu2 N4 C52 -105(3) . .
O3 Cu2 N4 C52 -131.7(4) . .
O4 Cu2 N4 C52 -41.3(4) . .
Cl2 Cu2 N4 C52 79.2(4) . .
N3 Cu2 N4 C46 71(3) . .
O3 Cu2 N4 C46 44.6(4) . .
O4 Cu2 N4 C46 135.1(4) . .
Cl2 Cu2 N4 C46 -104.5(4) . .
N4 C52 N5 C51 0.7(6) . .
C53 C52 N5 C51 178.9(5) . .
C50 C51 N5 C52 178.7(7) . .
C46 C51 N5 C52 -0.8(6) . .
N3 C37 N6 C36 0.9(6) . .
C38 C37 N6 C36 179.8(5) . .
C31 C36 N6 C37 -0.4(6) . .
C35 C36 N6 C37 178.4(6) . .
O3 C39 N7 C38 0.7(7) . .
C40 C39 N7 C38 -175.0(4) . .
C37 C38 N7 C39 -73.5(6) . .
O4 C54 N8 C53 -2.9(8) . .
C55 C54 N8 C53 -179.8(5) . .
C52 C53 N8 C54 -72.7(6) . .
N1 C24 N9 C25 0.9(6) . .
C23 C24 N9 C25 -178.6(5) . .
C30 C25 N9 C24 -1.0(6) . .
C26 C25 N9 C24 178.0(6) . .
N2 C7 N10 C1 0.8(5) . .
C8 C7 N10 C1 -179.6(4) . .
C2 C1 N10 C7 177.6(5) . .
C6 C1 N10 C7 -0.5(5) . .
O2 C9 N11 C8 -2.0(7) . .
C15 C9 N11 C8 -178.8(4) 2_645 .
C7 C8 N11 C9 -67.7(6) . .
O1 C22 N12 C23 1.5(8) . .
C21 C22 N12 C23 -176.2(4) . .
C24 C23 N12 C22 -76.0(6) . .
