#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/71/4317169.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_4317169
loop_
_publ_author_name
'Michael F. Primik'
'Simone Göschl'
'Michael A. Jakupec'
'Alexander Roller'
'Bernhard K. Keppler'
'Vladimir B. Arion'
_publ_section_title
;
 Structure-Activity Relationships of Highly Cytotoxic Copper(II) Complexes
 with Modified Indolo[3,2-c]quinoline Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11084
_journal_page_last               11095
_journal_paper_doi               10.1021/ic101633z
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C23 H19 Cl2 Cu N5, 0.5(C H4 O)'
_chemical_formula_sum            'C23.5 H21 Cl2 Cu N5 O0.5'
_chemical_formula_weight         515.89
_chemical_name_systematic
; 
N-(7,12-dihydroindolo[3,2-d][1]benzazepin-6-yliden)-N'-(1-pyridin-2-yl-
ethylidene)azine-dichlorido-copper(II) (5b)  
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.041(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6541(4)
_cell_length_b                   13.9929(5)
_cell_length_c                   13.3138(4)
_cell_measurement_reflns_used    9130
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.99
_cell_measurement_theta_min      2.44
_cell_volume                     2253.94(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0498
_diffrn_reflns_av_sigmaI/netI    0.0199
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            126389
_diffrn_reflns_theta_full        30.10
_diffrn_reflns_theta_max         30.10
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    1.230
_exptl_absorpt_correction_T_max  0.9188
_exptl_absorpt_correction_T_min  0.7909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green-brown
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.297
_refine_diff_density_min         -0.432
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         6621
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0327
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0540P)²+2.1639P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.0990
_reflns_number_gt                5594
_reflns_number_total             6621
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101633z_si_002_4.cif
_cod_data_source_block           mipr069
_cod_original_formula_sum        'C23.50 H21 Cl2 Cu N5 O0.50'
_cod_database_code               4317169
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.888668(16) 1.075098(15) 0.638738(17) 0.01512(7) Uani 1 1 d . . .
Cl1 Cl 0.97694(4) 1.18025(3) 0.78870(4) 0.02145(10) Uani 1 1 d . . .
Cl2 Cl 0.75515(4) 1.16103(4) 0.52683(4) 0.02596(11) Uani 1 1 d . . .
C1 C 0.49244(15) 1.00331(15) 0.67747(16) 0.0234(4) Uani 1 1 d . . .
H1 H 0.4263 0.9681 0.6486 0.028 Uiso 1 1 calc R . .
C3 C 0.58293(17) 1.14449(15) 0.76291(17) 0.0265(4) Uani 1 1 d . . .
H3 H 0.5795 1.2046 0.7949 0.032 Uiso 1 1 calc R . .
C4 C 0.68393(16) 1.10959(14) 0.75738(17) 0.0248(4) Uani 1 1 d . . .
H4 H 0.7489 1.1469 0.7834 0.030 Uiso 1 1 calc R . .
C2 C 0.48699(16) 1.09172(16) 0.72173(17) 0.0263(4) Uani 1 1 d . . .
H2 H 0.4178 1.1164 0.7240 0.032 Uiso 1 1 calc R . .
C4A C 0.69013(14) 1.01942(13) 0.71354(14) 0.0186(3) Uani 1 1 d . . .
N5 N 0.79618(11) 0.99297(11) 0.70545(12) 0.0172(3) Uani 1 1 d . . .
C6 C 0.83826(14) 0.90887(13) 0.73226(14) 0.0164(3) Uani 1 1 d . . .
C7 C 0.78027(14) 0.82677(13) 0.76533(14) 0.0186(3) Uani 1 1 d . . .
H7A H 0.7557 0.8447 0.8269 0.022 Uiso 1 1 calc R . .
H7B H 0.8303 0.7710 0.7844 0.022 Uiso 1 1 calc R . .
C7A C 0.68267(14) 0.80338(13) 0.67326(14) 0.0177(3) Uani 1 1 d . . .
C7B C 0.65718(15) 0.71942(13) 0.60904(15) 0.0199(3) Uani 1 1 d . . .
C11 C 0.50507(19) 0.67118(16) 0.45497(17) 0.0302(4) Uani 1 1 d . . .
H11 H 0.4357 0.6836 0.4048 0.036 Uiso 1 1 calc R . .
C8 C 0.71194(17) 0.63248(14) 0.60582(17) 0.0253(4) Uani 1 1 d . . .
H8 H 0.7807 0.6187 0.6562 0.030 Uiso 1 1 calc R . .
C10 C 0.5617(2) 0.58680(16) 0.45363(19) 0.0354(5) Uani 1 1 d . . .
H10 H 0.5307 0.5406 0.4009 0.043 Uiso 1 1 calc R . .
C9 C 0.6636(2) 0.56767(15) 0.5279(2) 0.0334(5) Uani 1 1 d . . .
H9 H 0.7000 0.5089 0.5246 0.040 Uiso 1 1 calc R . .
C11A C 0.55444(15) 0.73737(14) 0.53340(15) 0.0223(4) Uani 1 1 d . . .
N12 N 0.52049(12) 0.82792(12) 0.55017(13) 0.0215(3) Uani 1 1 d . . .
H12 H 0.4588 0.8555 0.5134 0.026 Uiso 1 1 calc R . .
C12A C 0.59918(14) 0.86829(13) 0.63420(14) 0.0184(3) Uani 1 1 d . . .
C12B C 0.59369(14) 0.96436(13) 0.67420(14) 0.0186(3) Uani 1 1 d . . .
N14 N 0.98508(11) 0.96181(10) 0.68090(11) 0.0152(3) Uani 1 1 d . . .
N13 N 0.94245(11) 0.89110(11) 0.72721(12) 0.0164(3) Uani 1 1 d . . .
H13 H 0.9789 0.8384 0.7518 0.020 Uiso 1 1 calc R . .
C16 C 1.10350(14) 1.04712(13) 0.61430(14) 0.0168(3) Uani 1 1 d . . .
C15 C 1.08445(13) 0.96315(13) 0.67410(14) 0.0167(3) Uani 1 1 d . . .
C20 C 1.21561(15) 1.14479(15) 0.53870(15) 0.0226(4) Uani 1 1 d . . .
H20 H 1.2835 1.1576 0.5244 0.027 Uiso 1 1 calc R . .
C21 C 1.20315(15) 1.06316(14) 0.59364(15) 0.0213(3) Uani 1 1 d . . .
H21 H 1.2623 1.0189 0.6167 0.026 Uiso 1 1 calc R . .
C18 C 1.02862(15) 1.18567(14) 0.52667(14) 0.0199(3) Uani 1 1 d . . .
H18 H 0.9678 1.2280 0.5025 0.024 Uiso 1 1 calc R . .
C22 C 1.17414(15) 0.89302(14) 0.72091(17) 0.0237(4) Uani 1 1 d . . .
H22A H 1.1486 0.8474 0.7646 0.035 Uiso 1 1 calc R . .
H22B H 1.2393 0.9270 0.7643 0.035 Uiso 1 1 calc R . .
H22C H 1.1935 0.8586 0.6646 0.035 Uiso 1 1 calc R . .
C19 C 1.12765(15) 1.20686(14) 0.50529(14) 0.0215(3) Uani 1 1 d . . .
H19 H 1.1344 1.2634 0.4681 0.026 Uiso 1 1 calc R . .
N17 N 1.01682(12) 1.10769(11) 0.58011(12) 0.0168(3) Uani 1 1 d . . .
O1 O 0.0327(7) 1.0680(5) 1.0108(6) 0.0591(16) Uiso 0.30 1 d PD . .
C23 C 0.0644(8) 0.9726(6) 0.9873(8) 0.088(3) Uiso 0.50 1 d PD . .
O2 O 0.1172(9) 0.8985(8) 0.9435(9) 0.0591(16) Uiso 0.20 1 d PD . .
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'
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
_geom_angle_publ_flag
N14 Cu1 N5 78.94(6) . . ?
N14 Cu1 N17 78.18(6) . . ?
N5 Cu1 N17 156.85(6) . . ?
N14 Cu1 Cl2 153.96(5) . . ?
N5 Cu1 Cl2 100.13(4) . . ?
N17 Cu1 Cl2 98.84(4) . . ?
N14 Cu1 Cl1 98.79(4) . . ?
N5 Cu1 Cl1 99.58(5) . . ?
N17 Cu1 Cl1 87.38(4) . . ?
Cl2 Cu1 Cl1 106.951(19) . . ?
C2 C1 C12B 121.40(18) . . ?
C2 C1 H1 119.3 . . ?
C12B C1 H1 119.3 . . ?
C2 C3 C4 120.21(19) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C3 C4 C4A 120.17(18) . . ?
C3 C4 H4 119.9 . . ?
C4A C4 H4 119.9 . . ?
C1 C2 C3 119.84(17) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C4 C4A C12B 119.95(16) . . ?
C4 C4A N5 115.69(16) . . ?
C12B C4A N5 124.20(16) . . ?
C6 N5 C4A 122.26(15) . . ?
C6 N5 Cu1 113.11(11) . . ?
C4A N5 Cu1 124.35(12) . . ?
N5 C6 N13 118.48(16) . . ?
N5 C6 C7 125.43(15) . . ?
N13 C6 C7 116.06(15) . . ?
C6 C7 C7A 106.52(14) . . ?
C6 C7 H7A 110.4 . . ?
C7A C7 H7A 110.4 . . ?
C6 C7 H7B 110.4 . . ?
C7A C7 H7B 110.4 . . ?
H7A C7 H7B 108.6 . . ?
C12A C7A C7B 107.60(16) . . ?
C12A C7A C7 121.51(16) . . ?
C7B C7A C7 130.87(16) . . ?
C8 C7B C11A 119.34(18) . . ?
C8 C7B C7A 134.45(18) . . ?
C11A C7B C7A 106.18(16) . . ?
C10 C11 C11A 117.1(2) . . ?
C10 C11 H11 121.5 . . ?
C11A C11 H11 121.5 . . ?
C9 C8 C7B 118.5(2) . . ?
C9 C8 H8 120.7 . . ?
C7B C8 H8 120.7 . . ?
C11 C10 C9 121.8(2) . . ?
C11 C10 H10 119.1 . . ?
C9 C10 H10 119.1 . . ?
C8 C9 C10 121.3(2) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
N12 C11A C11 129.64(19) . . ?
N12 C11A C7B 108.26(16) . . ?
C11 C11A C7B 122.04(19) . . ?
C11A N12 C12A 108.81(15) . . ?
C11A N12 H12 125.6 . . ?
C12A N12 H12 125.6 . . ?
C7A C12A N12 109.13(16) . . ?
C7A C12A C12B 125.87(16) . . ?
N12 C12A C12B 125.00(16) . . ?
C1 C12B C4A 118.36(17) . . ?
C1 C12B C12A 120.78(16) . . ?
C4A C12B C12A 120.83(15) . . ?
C15 N14 N13 124.67(15) . . ?
C15 N14 Cu1 120.15(12) . . ?
N13 N14 Cu1 114.74(10) . . ?
N14 N13 C6 114.10(14) . . ?
N14 N13 H13 123.0 . . ?
C6 N13 H13 123.0 . . ?
N17 C16 C21 121.75(17) . . ?
N17 C16 C15 115.75(15) . . ?
C21 C16 C15 122.49(16) . . ?
N14 C15 C16 111.49(15) . . ?
N14 C15 C22 126.90(16) . . ?
C16 C15 C22 121.59(15) . . ?
C19 C20 C21 118.83(17) . . ?
C19 C20 H20 120.6 . . ?
C21 C20 H20 120.6 . . ?
C16 C21 C20 119.19(17) . . ?
C16 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
N17 C18 C19 121.99(17) . . ?
N17 C18 H18 119.0 . . ?
C19 C18 H18 119.0 . . ?
C15 C22 H22A 109.5 . . ?
C15 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C15 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C19 C18 119.25(18) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C18 N17 C16 118.97(15) . . ?
C18 N17 Cu1 127.62(12) . . ?
C16 N17 Cu1 112.73(12) . . ?
C23 O1 C23 85.8(7) 3_577 . ?
O1 C23 O2 103.6(9) 3_577 . ?
O1 C23 O1 94.2(7) 3_577 . ?
O2 C23 O1 159.1(10) . . ?
O1 C23 C23 49.1(5) 3_577 3_577 ?
O2 C23 C23 151.0(11) . 3_577 ?
O1 C23 C23 45.0(5) . 3_577 ?
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 N14 1.9787(15) . ?
Cu1 N5 2.0220(15) . ?
Cu1 N17 2.0466(15) . ?
Cu1 Cl2 2.2461(5) . ?
Cu1 Cl1 2.4681(5) . ?
C1 C2 1.381(3) . ?
C1 C12B 1.405(2) . ?
C1 H1 0.9500 . ?
C3 C2 1.389(3) . ?
C3 C4 1.390(3) . ?
C3 H3 0.9500 . ?
C4 C4A 1.402(3) . ?
C4 H4 0.9500 . ?
C2 H2 0.9500 . ?
C4A C12B 1.408(2) . ?
C4A N5 1.426(2) . ?
N5 C6 1.298(2) . ?
C6 N13 1.362(2) . ?
C6 C7 1.497(2) . ?
C7 C7A 1.499(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7A C12A 1.375(2) . ?
C7A C7B 1.433(3) . ?
C7B C8 1.407(3) . ?
C7B C11A 1.414(3) . ?
C11 C10 1.384(3) . ?
C11 C11A 1.399(3) . ?
C11 H11 0.9500 . ?
C8 C9 1.378(3) . ?
C8 H8 0.9500 . ?
C10 C9 1.402(4) . ?
C10 H10 0.9500 . ?
C9 H9 0.9500 . ?
C11A N12 1.377(3) . ?
N12 C12A 1.382(2) . ?
N12 H12 0.8800 . ?
C12A C12B 1.455(3) . ?
N14 C15 1.287(2) . ?
N14 N13 1.358(2) . ?
N13 H13 0.8800 . ?
C16 N17 1.355(2) . ?
C16 C21 1.386(2) . ?
C16 C15 1.478(2) . ?
C15 C22 1.492(2) . ?
C20 C19 1.379(3) . ?
C20 C21 1.390(3) . ?
C20 H20 0.9500 . ?
C21 H21 0.9500 . ?
C18 N17 1.335(2) . ?
C18 C19 1.396(2) . ?
C18 H18 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C19 H19 0.9500 . ?
O1 C23 1.360(12) 3_577 ?
O1 C23 1.455(8) . ?
C23 O1 1.360(12) 3_577 ?
C23 O2 1.445(8) . ?
C23 C23 1.918(17) 3_577 ?
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
C2 C3 C4 C4A -2.3(3) . . . . ?
C12B C1 C2 C3 0.9(3) . . . . ?
C4 C3 C2 C1 1.6(3) . . . . ?
C3 C4 C4A C12B 0.5(3) . . . . ?
C3 C4 C4A N5 176.11(18) . . . . ?
C4 C4A N5 C6 134.98(19) . . . . ?
C12B C4A N5 C6 -49.7(3) . . . . ?
C4 C4A N5 Cu1 -51.5(2) . . . . ?
C12B C4A N5 Cu1 123.86(17) . . . . ?
N14 Cu1 N5 C6 -5.61(12) . . . . ?
N17 Cu1 N5 C6 3.3(2) . . . . ?
Cl2 Cu1 N5 C6 147.90(12) . . . . ?
Cl1 Cu1 N5 C6 -102.79(12) . . . . ?
N14 Cu1 N5 C4A -179.66(15) . . . . ?
N17 Cu1 N5 C4A -170.76(14) . . . . ?
Cl2 Cu1 N5 C4A -26.14(14) . . . . ?
Cl1 Cu1 N5 C4A 83.16(14) . . . . ?
C4A N5 C6 N13 -176.64(16) . . . . ?
Cu1 N5 C6 N13 9.2(2) . . . . ?
C4A N5 C6 C7 5.7(3) . . . . ?
Cu1 N5 C6 C7 -168.51(14) . . . . ?
N5 C6 C7 C7A 62.1(2) . . . . ?
N13 C6 C7 C7A -115.59(17) . . . . ?
C6 C7 C7A C12A -62.4(2) . . . . ?
C6 C7 C7A C7B 115.5(2) . . . . ?
C12A C7A C7B C8 176.1(2) . . . . ?
C7 C7A C7B C8 -2.0(3) . . . . ?
C12A C7A C7B C11A -1.59(19) . . . . ?
C7 C7A C7B C11A -179.70(17) . . . . ?
C11A C7B C8 C9 0.5(3) . . . . ?
C7A C7B C8 C9 -177.0(2) . . . . ?
C11A C11 C10 C9 0.6(3) . . . . ?
C7B C8 C9 C10 -0.5(3) . . . . ?
C11 C10 C9 C8 -0.1(4) . . . . ?
C10 C11 C11A N12 176.2(2) . . . . ?
C10 C11 C11A C7B -0.5(3) . . . . ?
C8 C7B C11A N12 -177.35(16) . . . . ?
C7A C7B C11A N12 0.8(2) . . . . ?
C8 C7B C11A C11 0.0(3) . . . . ?
C7A C7B C11A C11 178.16(17) . . . . ?
C11 C11A N12 C12A -176.8(2) . . . . ?
C7B C11A N12 C12A 0.3(2) . . . . ?
C7B C7A C12A N12 1.80(19) . . . . ?
C7 C7A C12A N12 -179.88(15) . . . . ?
C7B C7A C12A C12B -178.14(16) . . . . ?
C7 C7A C12A C12B 0.2(3) . . . . ?
C11A N12 C12A C7A -1.3(2) . . . . ?
C11A N12 C12A C12B 178.62(16) . . . . ?
C2 C1 C12B C4A -2.5(3) . . . . ?
C2 C1 C12B C12A 175.54(18) . . . . ?
C4 C4A C12B C1 1.8(3) . . . . ?
N5 C4A C12B C1 -173.36(17) . . . . ?
C4 C4A C12B C12A -176.26(18) . . . . ?
N5 C4A C12B C12A 8.6(3) . . . . ?
C7A C12A C12B C1 -142.41(19) . . . . ?
N12 C12A C12B C1 37.7(3) . . . . ?
C7A C12A C12B C4A 35.6(3) . . . . ?
N12 C12A C12B C4A -144.31(18) . . . . ?
N5 Cu1 N14 C15 -171.23(15) . . . . ?
N17 Cu1 N14 C15 12.33(14) . . . . ?
Cl2 Cu1 N14 C15 98.29(15) . . . . ?
Cl1 Cu1 N14 C15 -73.10(14) . . . . ?
N5 Cu1 N14 N13 1.42(12) . . . . ?
N17 Cu1 N14 N13 -175.02(13) . . . . ?
Cl2 Cu1 N14 N13 -89.06(15) . . . . ?
Cl1 Cu1 N14 N13 99.55(11) . . . . ?
C15 N14 N13 C6 175.07(16) . . . . ?
Cu1 N14 N13 C6 2.80(19) . . . . ?
N5 C6 N13 N14 -8.1(2) . . . . ?
C7 C6 N13 N14 169.82(14) . . . . ?
N13 N14 C15 C16 176.95(15) . . . . ?
Cu1 N14 C15 C16 -11.2(2) . . . . ?
N13 N14 C15 C22 -4.6(3) . . . . ?
Cu1 N14 C15 C22 167.24(15) . . . . ?
N17 C16 C15 N14 1.5(2) . . . . ?
C21 C16 C15 N14 -178.14(17) . . . . ?
N17 C16 C15 C22 -177.01(17) . . . . ?
C21 C16 C15 C22 3.3(3) . . . . ?
N17 C16 C21 C20 1.7(3) . . . . ?
C15 C16 C21 C20 -178.70(17) . . . . ?
C19 C20 C21 C16 -0.8(3) . . . . ?
C21 C20 C19 C18 -0.5(3) . . . . ?
N17 C18 C19 C20 1.1(3) . . . . ?
C19 C18 N17 C16 -0.2(3) . . . . ?
C19 C18 N17 Cu1 169.60(13) . . . . ?
C21 C16 N17 C18 -1.2(3) . . . . ?
C15 C16 N17 C18 179.19(16) . . . . ?
C21 C16 N17 Cu1 -172.44(14) . . . . ?
C15 C16 N17 Cu1 7.91(19) . . . . ?
N14 Cu1 N17 C18 179.40(16) . . . . ?
N5 Cu1 N17 C18 170.47(15) . . . . ?
Cl2 Cu1 N17 C18 25.70(15) . . . . ?
Cl1 Cu1 N17 C18 -81.05(15) . . . . ?
N14 Cu1 N17 C16 -10.24(12) . . . . ?
N5 Cu1 N17 C16 -19.2(2) . . . . ?
Cl2 Cu1 N17 C16 -163.93(11) . . . . ?
Cl1 Cu1 N17 C16 89.31(12) . . . . ?
C23 O1 C23 O1 0.0 3_577 . . 3_577 ?
C23 O1 C23 O2 148(3) 3_577 . . . ?
