#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:19:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179371 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/68/4326877.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_4326877
loop_
_publ_author_name
'Rajendra Shakya'
'Zhaodong Wang'
'Douglas R. Powell'
'Robert P. Houser'
_publ_section_title
;
 Tetradentate vs Pentadentate Coordination in Copper(II) Complexes of
 Pyridylbis(aminophenol) Ligands Depends on Nucleophilicity of Phenol
 Donors
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11581
_journal_page_last               11591
_journal_paper_doi               10.1021/ic201536c
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C46 H50 Cl2 Cu3 N6 O4, 2(H2 O)'
_chemical_formula_sum            'C46 H54 Cl2 Cu3 N6 O6'
_chemical_formula_weight         1048.47
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 117.984(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.352(3)
_cell_length_b                   13.614(2)
_cell_length_c                   19.977(3)
_cell_measurement_reflns_used    9122
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.31
_cell_volume                     4647.7(12)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD Bruker APEX'
_diffrn_measurement_method       '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  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            20568
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.91
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.529
_exptl_absorpt_correction_T_max  0.7919
_exptl_absorpt_correction_T_min  0.6090
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2001)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.498
_exptl_crystal_description       prism
_exptl_crystal_F_000             2164
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.604
_refine_diff_density_min         -0.411
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5792
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0551
_refine_ls_R_factor_gt           0.0431
_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)+(0.0760P)²+3.6000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1138
_refine_ls_wR_factor_ref         0.1231
_reflns_number_gt                4660
_reflns_number_total             5792
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic201536c_si_002_1.cif
_cod_data_source_block           1a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4326877
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Cu1 Cu 0.2500 0.2500 0.5000 0.03173(12) Uani 1 2 d S
Cu2 Cu 0.184143(17) 0.18470(2) 0.598541(15) 0.03219(11) Uani 1 1 d .
Cl1 Cl 0.29107(5) 0.29395(6) 0.69053(4) 0.0540(2) Uani 1 1 d .
O1 O 0.16056(10) 0.27718(13) 0.51344(9) 0.0345(4) Uani 1 1 d .
C2 C 0.09109(15) 0.32096(18) 0.46959(13) 0.0333(5) Uani 1 1 d .
C3 C 0.06392(16) 0.33516(19) 0.39186(14) 0.0362(5) Uani 1 1 d .
H3 H 0.0953 0.3170 0.3689 0.043 Uiso 1 1 calc R
C4 C -0.00964(17) 0.3763(2) 0.34880(15) 0.0439(6) Uani 1 1 d .
H4 H -0.0283 0.3864 0.2961 0.053 Uiso 1 1 calc R
C5 C -0.05578(18) 0.4025(2) 0.38125(16) 0.0497(7) Uani 1 1 d .
H5 H -0.1066 0.4288 0.3509 0.060 Uiso 1 1 calc R
C6 C -0.02764(18) 0.3903(2) 0.45863(16) 0.0471(7) Uani 1 1 d .
H6 H -0.0592 0.4093 0.4813 0.057 Uiso 1 1 calc R
C7 C 0.04611(16) 0.3506(2) 0.50344(13) 0.0376(6) Uani 1 1 d .
C8 C 0.07898(17) 0.3411(2) 0.58792(14) 0.0404(6) Uani 1 1 d .
H8A H 0.1276 0.3804 0.6134 0.048 Uiso 1 1 calc R
H8B H 0.0409 0.3679 0.6032 0.048 Uiso 1 1 calc R
N9 N 0.09638(14) 0.23728(17) 0.61305(11) 0.0350(5) Uani 1 1 d .
H9 H 0.0560(19) 0.201(2) 0.5877(18) 0.042 Uiso 1 1 d .
C10 C 0.10937(16) 0.2283(2) 0.69218(14) 0.0376(6) Uani 1 1 d .
H10A H 0.0634 0.2559 0.6948 0.045 Uiso 1 1 calc R
H10B H 0.1554 0.2687 0.7254 0.045 Uiso 1 1 calc R
C11 C 0.12277(16) 0.12332(19) 0.72319(13) 0.0372(6) Uani 1 1 d .
C12 C 0.1294(2) 0.1305(2) 0.80320(16) 0.0501(7) Uani 1 1 d .
H12A H 0.1385 0.0649 0.8260 0.075 Uiso 1 1 calc R
H12B H 0.0807 0.1573 0.7994 0.075 Uiso 1 1 calc R
H12C H 0.1731 0.1737 0.8349 0.075 Uiso 1 1 calc R
C13 C 0.05545(17) 0.0547(2) 0.67456(17) 0.0460(7) Uani 1 1 d .
N14 N -0.00281(16) 0.0901(2) 0.61054(13) 0.0556(7) Uani 1 1 d .
C15 C -0.0635(2) 0.0301(3) 0.56891(19) 0.0660(10) Uani 1 1 d .
H15 H -0.1049 0.0547 0.5231 0.079 Uiso 1 1 calc R
C16 C -0.0681(2) -0.0635(3) 0.5894(3) 0.0906(16) Uani 1 1 d .
H16 H -0.1119 -0.1035 0.5590 0.109 Uiso 1 1 calc R
C17 C -0.0086(3) -0.0986(3) 0.6543(4) 0.142(3) Uani 1 1 d .
H17 H -0.0103 -0.1641 0.6699 0.171 Uiso 1 1 calc R
C18 C 0.0543(2) -0.0394(3) 0.6977(3) 0.103(2) Uani 1 1 d .
H18 H 0.0963 -0.0637 0.7432 0.124 Uiso 1 1 calc R
C19 C 0.20113(16) 0.0820(2) 0.73432(13) 0.0374(6) Uani 1 1 d .
H19A H 0.2431 0.1287 0.7656 0.045 Uiso 1 1 calc R
H19B H 0.2116 0.0196 0.7630 0.045 Uiso 1 1 calc R
N20 N 0.20505(13) 0.06316(17) 0.66276(11) 0.0347(5) Uani 1 1 d .
H20 H 0.1773(18) 0.020(2) 0.6431(18) 0.042 Uiso 1 1 d .
C21 C 0.28378(16) 0.0234(2) 0.68138(14) 0.0392(6) Uani 1 1 d .
H21A H 0.2975 -0.0287 0.7201 0.047 Uiso 1 1 calc R
H21B H 0.3229 0.0766 0.7037 0.047 Uiso 1 1 calc R
C22 C 0.28858(16) -0.01824(19) 0.61410(14) 0.0385(6) Uani 1 1 d .
C23 C 0.3128(2) -0.1138(2) 0.61363(18) 0.0551(8) Uani 1 1 d .
H23 H 0.3252 -0.1549 0.6562 0.066 Uiso 1 1 calc R
C24 C 0.3192(2) -0.1508(2) 0.55165(19) 0.0589(8) Uani 1 1 d .
H24 H 0.3371 -0.2160 0.5525 0.071 Uiso 1 1 calc R
C25 C 0.29947(17) -0.0921(2) 0.48957(16) 0.0457(6) Uani 1 1 d .
H25 H 0.3021 -0.1176 0.4465 0.055 Uiso 1 1 calc R
C26 C 0.27584(15) 0.0039(2) 0.48900(14) 0.0391(6) Uani 1 1 d .
H26 H 0.2632 0.0445 0.4461 0.047 Uiso 1 1 calc R
C27 C 0.27053(14) 0.04099(19) 0.55122(14) 0.0346(5) Uani 1 1 d .
O28 O 0.24728(11) 0.13437(13) 0.55247(10) 0.0382(4) Uani 1 1 d .
O1S O 0.1555(3) -0.1645(3) 0.6361(2) 0.1209(15) Uani 1 1 d D
H1SA H 0.166(4) -0.189(4) 0.691(3) 0.145 Uiso 1 1 d D
H1SB H 0.142(4) -0.233(4) 0.607(3) 0.145 Uiso 1 1 d D
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'
O O 0.0106 0.0060 '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
O28 Cu1 O28 179.998(1) 7_556 .
O28 Cu1 O1 100.26(7) 7_556 .
O28 Cu1 O1 79.74(7) . .
O28 Cu1 O1 79.74(7) 7_556 7_556
O28 Cu1 O1 100.26(7) . 7_556
O1 Cu1 O1 180.00(3) . 7_556
O28 Cu2 N9 162.95(8) . .
O28 Cu2 O1 76.36(7) . .
N9 Cu2 O1 91.58(8) . .
O28 Cu2 N20 91.65(8) . .
N9 Cu2 N20 97.64(9) . .
O1 Cu2 N20 163.96(8) . .
O28 Cu2 Cl1 93.97(6) . .
N9 Cu2 Cl1 98.47(7) . .
O1 Cu2 Cl1 91.74(6) . .
N20 Cu2 Cl1 99.80(7) . .
C2 O1 Cu1 133.37(15) . .
C2 O1 Cu2 126.37(16) . .
Cu1 O1 Cu2 97.94(7) . .
O1 C2 C7 118.2(2) . .
O1 C2 C3 121.5(2) . .
C7 C2 C3 120.3(2) . .
C4 C3 C2 119.0(2) . .
C4 C3 H3 120.5 . .
C2 C3 H3 120.5 . .
C5 C4 C3 121.1(2) . .
C5 C4 H4 119.5 . .
C3 C4 H4 119.5 . .
C4 C5 C6 119.5(3) . .
C4 C5 H5 120.3 . .
C6 C5 H5 120.3 . .
C5 C6 C7 120.8(3) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C2 C7 C6 119.2(2) . .
C2 C7 C8 119.3(2) . .
C6 C7 C8 121.5(2) . .
N9 C8 C7 111.8(2) . .
N9 C8 H8A 109.3 . .
C7 C8 H8A 109.3 . .
N9 C8 H8B 109.3 . .
C7 C8 H8B 109.3 . .
H8A C8 H8B 107.9 . .
C10 N9 C8 109.7(2) . .
C10 N9 Cu2 113.37(17) . .
C8 N9 Cu2 111.56(17) . .
C10 N9 H9 103(2) . .
C8 N9 H9 110(2) . .
Cu2 N9 H9 108(2) . .
N9 C10 C11 114.8(2) . .
N9 C10 H10A 108.6 . .
C11 C10 H10A 108.6 . .
N9 C10 H10B 108.6 . .
C11 C10 H10B 108.6 . .
H10A C10 H10B 107.5 . .
C13 C11 C10 112.5(2) . .
C13 C11 C19 111.0(2) . .
C10 C11 C19 111.7(2) . .
C13 C11 C12 109.2(2) . .
C10 C11 C12 106.0(2) . .
C19 C11 C12 106.1(2) . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N14 C13 C18 121.5(3) . .
N14 C13 C11 118.3(3) . .
C18 C13 C11 120.3(3) . .
C13 N14 C15 118.1(3) . .
N14 C15 C16 123.0(4) . .
N14 C15 H15 118.5 . .
C16 C15 H15 118.5 . .
C15 C16 C17 118.3(3) . .
C15 C16 H16 120.9 . .
C17 C16 H16 120.9 . .
C16 C17 C18 120.0(5) . .
C16 C17 H17 120.0 . .
C18 C17 H17 120.0 . .
C13 C18 C17 119.1(4) . .
C13 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
N20 C19 C11 114.6(2) . .
N20 C19 H19A 108.6 . .
C11 C19 H19A 108.6 . .
N20 C19 H19B 108.6 . .
C11 C19 H19B 108.6 . .
H19A C19 H19B 107.6 . .
C19 N20 C21 109.25(19) . .
C19 N20 Cu2 112.62(17) . .
C21 N20 Cu2 109.48(16) . .
C19 N20 H20 107(2) . .
C21 N20 H20 104(2) . .
Cu2 N20 H20 115(2) . .
N20 C21 C22 113.5(2) . .
N20 C21 H21A 108.9 . .
C22 C21 H21A 108.9 . .
N20 C21 H21B 108.9 . .
C22 C21 H21B 108.9 . .
H21A C21 H21B 107.7 . .
C23 C22 C27 118.7(3) . .
C23 C22 C21 121.6(2) . .
C27 C22 C21 119.6(2) . .
C22 C23 C24 121.1(3) . .
C22 C23 H23 119.4 . .
C24 C23 H23 119.4 . .
C25 C24 C23 119.3(3) . .
C25 C24 H24 120.4 . .
C23 C24 H24 120.4 . .
C24 C25 C26 120.6(3) . .
C24 C25 H25 119.7 . .
C26 C25 H25 119.7 . .
C25 C26 C27 119.9(2) . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
O28 C27 C26 121.5(2) . .
O28 C27 C22 118.2(2) . .
C26 C27 C22 120.3(2) . .
C27 O28 Cu1 132.14(16) . .
C27 O28 Cu2 128.41(15) . .
Cu1 O28 Cu2 98.81(8) . .
H1SA O1S H1SB 100(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O28 1.9055(17) 7_556
Cu1 O28 1.9055(17) .
Cu1 O1 1.9082(17) .
Cu1 O1 1.9082(17) 7_556
Cu2 O28 1.9660(18) .
Cu2 N9 1.986(2) .
Cu2 O1 1.9888(17) .
Cu2 N20 2.015(2) .
Cu2 Cl1 2.5105(8) .
O1 C2 1.351(3) .
C2 C7 1.389(4) .
C2 C3 1.400(3) .
C3 C4 1.389(4) .
C3 H3 0.9500 .
C4 C5 1.374(4) .
C4 H4 0.9500 .
C5 C6 1.387(4) .
C5 H5 0.9500 .
C6 C7 1.390(4) .
C6 H6 0.9500 .
C7 C8 1.504(3) .
C8 N9 1.485(3) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
N9 C10 1.485(3) .
N9 H9 0.86(3) .
C10 C11 1.531(4) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C13 1.526(4) .
C11 C19 1.533(4) .
C11 C12 1.545(3) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 N14 1.336(4) .
C13 C18 1.366(5) .
N14 C15 1.349(4) .
C15 C16 1.354(6) .
C15 H15 0.9500 .
C16 C17 1.355(7) .
C16 H16 0.9500 .
C17 C18 1.375(5) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 N20 1.489(3) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
N20 C21 1.490(3) .
N20 H20 0.77(3) .
C21 C22 1.501(4) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.384(4) .
C22 C27 1.392(3) .
C23 C24 1.395(4) .
C23 H23 0.9500 .
C24 C25 1.371(4) .
C24 H24 0.9500 .
C25 C26 1.383(4) .
C25 H25 0.9500 .
C26 C27 1.389(4) .
C26 H26 0.9500 .
C27 O28 1.353(3) .
O1S H1SA 1.06(4) .
O1S H1SB 1.06(4) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N9 H9 N14 0.86(3) 2.07(3) 2.759(4) 137(3) .
N20 H20 O1S 0.77(3) 2.54(3) 3.214(5) 147(3) .
O1S H1SA Cl1 1.06(4) 2.13(4) 3.166(4) 164(5) 4_546
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
O28 Cu1 O1 C2 37.5(2) 7_556
O28 Cu1 O1 C2 -142.5(2) .
O28 Cu1 O1 Cu2 -159.70(8) 7_556
O28 Cu1 O1 Cu2 20.30(8) .
O28 Cu2 O1 C2 144.6(2) .
N9 Cu2 O1 C2 -23.2(2) .
N20 Cu2 O1 C2 102.1(3) .
Cl1 Cu2 O1 C2 -121.71(19) .
O28 Cu2 O1 Cu1 -19.91(8) .
N9 Cu2 O1 Cu1 172.28(9) .
N20 Cu2 O1 Cu1 -62.4(3) .
Cl1 Cu2 O1 Cu1 73.76(7) .
Cu1 O1 C2 C7 -164.43(19) .
Cu2 O1 C2 C7 36.9(3) .
Cu1 O1 C2 C3 16.5(4) .
Cu2 O1 C2 C3 -142.2(2) .
O1 C2 C3 C4 176.9(2) .
C7 C2 C3 C4 -2.1(4) .
C2 C3 C4 C5 -0.3(4) .
C3 C4 C5 C6 1.8(5) .
C4 C5 C6 C7 -0.9(5) .
O1 C2 C7 C6 -176.1(3) .
C3 C2 C7 C6 3.0(4) .
O1 C2 C7 C8 5.3(4) .
C3 C2 C7 C8 -175.7(2) .
C5 C6 C7 C2 -1.4(5) .
C5 C6 C7 C8 177.2(3) .
C2 C7 C8 N9 -61.4(4) .
C6 C7 C8 N9 120.0(3) .
C7 C8 N9 C10 -165.9(2) .
C7 C8 N9 Cu2 67.6(3) .
O28 Cu2 N9 C10 163.9(2) .
O1 Cu2 N9 C10 -151.65(18) .
N20 Cu2 N9 C10 41.51(19) .
Cl1 Cu2 N9 C10 -59.65(18) .
O28 Cu2 N9 C8 -71.6(4) .
O1 Cu2 N9 C8 -27.24(17) .
N20 Cu2 N9 C8 165.91(16) .
Cl1 Cu2 N9 C8 64.75(16) .
C8 N9 C10 C11 176.3(2) .
Cu2 N9 C10 C11 -58.3(3) .
N9 C10 C11 C13 -57.1(3) .
N9 C10 C11 C19 68.5(3) .
N9 C10 C11 C12 -176.4(2) .
C10 C11 C13 N14 4.1(3) .
C19 C11 C13 N14 -121.9(3) .
C12 C11 C13 N14 121.5(3) .
C10 C11 C13 C18 -173.9(4) .
C19 C11 C13 C18 60.1(4) .
C12 C11 C13 C18 -56.5(4) .
C18 C13 N14 C15 0.1(5) .
C11 C13 N14 C15 -177.9(3) .
C13 N14 C15 C16 0.5(5) .
N14 C15 C16 C17 -0.6(7) .
C15 C16 C17 C18 0.2(10) .
N14 C13 C18 C17 -0.5(8) .
C11 C13 C18 C17 177.5(5) .
C16 C17 C18 C13 0.3(10) .
C13 C11 C19 N20 57.7(3) .
C10 C11 C19 N20 -68.7(3) .
C12 C11 C19 N20 176.2(2) .
C11 C19 N20 C21 180.0(2) .
C11 C19 N20 Cu2 58.1(3) .
O28 Cu2 N20 C19 152.89(17) .
N9 Cu2 N20 C19 -41.45(18) .
O1 Cu2 N20 C19 -166.0(2) .
Cl1 Cu2 N20 C19 58.57(17) .
O28 Cu2 N20 C21 31.13(17) .
N9 Cu2 N20 C21 -163.20(16) .
O1 Cu2 N20 C21 72.2(4) .
Cl1 Cu2 N20 C21 -63.19(16) .
C19 N20 C21 C22 167.6(2) .
Cu2 N20 C21 C22 -68.6(2) .
N20 C21 C22 C23 -124.3(3) .
N20 C21 C22 C27 57.6(3) .
C27 C22 C23 C24 0.0(5) .
C21 C22 C23 C24 -178.1(3) .
C22 C23 C24 C25 -1.5(6) .
C23 C24 C25 C26 2.1(5) .
C24 C25 C26 C27 -1.2(4) .
C25 C26 C27 O28 -179.7(2) .
C25 C26 C27 C22 -0.3(4) .
C23 C22 C27 O28 -179.7(3) .
C21 C22 C27 O28 -1.5(4) .
C23 C22 C27 C26 0.9(4) .
C21 C22 C27 C26 179.0(2) .
C26 C27 O28 Cu1 -24.4(4) .
C22 C27 O28 Cu1 156.2(2) .
C26 C27 O28 Cu2 144.5(2) .
C22 C27 O28 Cu2 -34.9(3) .
O1 Cu1 O28 C27 150.6(2) .
O1 Cu1 O28 C27 -29.4(2) 7_556
O1 Cu1 O28 Cu2 -20.59(8) .
O1 Cu1 O28 Cu2 159.41(8) 7_556
N9 Cu2 O28 C27 -105.7(3) .
O1 Cu2 O28 C27 -151.7(2) .
N20 Cu2 O28 C27 17.5(2) .
Cl1 Cu2 O28 C27 117.4(2) .
N9 Cu2 O28 Cu1 66.0(3) .
O1 Cu2 O28 Cu1 19.98(8) .
N20 Cu2 O28 Cu1 -170.79(9) .
Cl1 Cu2 O28 Cu1 -70.84(7) .
