#------------------------------------------------------------------------------
#$Date: 2016-03-24 01:56:44 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179547 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/16/4501658.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_4501658
loop_
_publ_author_name
'Li, Cheng-Peng'
'Zhao, Xiao-Hu'
'Chen, Xu-Dong'
'Yu, Qian'
'Du, Miao'
_publ_section_title
;
 Metal-Involved Solvothermal Interconversions of Pyrazinyl Substituted
 Azole Derivatives: Controllability and Mechanism
;
_journal_issue                   12
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5034
_journal_paper_doi               10.1021/cg100200b
_journal_volume                  10
_journal_year                    2010
_chemical_formula_sum            'C48 H42 Cu4 N28 O10 S2'
_chemical_formula_weight         1489.38
_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                 97.710(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.843(4)
_cell_length_b                   14.947(3)
_cell_length_c                   19.278(4)
_cell_measurement_reflns_used    2146
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.61
_cell_measurement_theta_min      2.59
_cell_volume                     6523(2)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_collection       'Bruker APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'APEX II CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0639
_diffrn_reflns_av_sigmaI/netI    0.0887
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17538
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    1.425
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.778471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3016
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.860
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       0.00067(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     423
_refine_ls_number_reflns         5756
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1190
_refine_ls_R_factor_gt           0.0636
_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)+(0.1213P)²+3.8369P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1727
_refine_ls_wR_factor_ref         0.2125
_reflns_number_gt                3328
_reflns_number_total             5756
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg100200b_si_002.cif
_cod_data_source_block           6b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' 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 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4501658
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.32883(4) 0.68147(5) 0.00631(4) 0.0481(3) Uani 1 1 d . . .
Cu2 Cu 0.23032(4) 0.75695(5) 0.19664(4) 0.0472(3) Uani 1 1 d . . .
S1 S 0.36053(11) 0.53293(16) 0.24868(15) 0.0882(8) Uani 1 1 d . . .
O1 O 0.0596(2) 0.8396(4) 0.1440(3) 0.0748(15) Uani 1 1 d . . .
O2 O 0.2036(2) 0.5961(3) 0.1209(2) 0.0638(14) Uani 1 1 d . . .
O3 O 0.3439(2) 0.7982(4) 0.0497(3) 0.0716(15) Uani 1 1 d . . .
N1 N -0.0496(3) 0.9124(6) -0.0527(4) 0.089(2) Uani 1 1 d . . .
N2 N 0.0711(3) 0.8799(4) -0.0391(3) 0.0612(17) Uani 1 1 d . . .
N3 N 0.1307(2) 0.8135(4) 0.0776(3) 0.0474(13) Uani 1 1 d . . .
N4 N 0.1534(2) 0.7965(3) 0.1449(2) 0.0433(13) Uani 1 1 d . . .
N5 N 0.1818(2) 0.7777(4) 0.2781(3) 0.0472(13) Uani 1 1 d . . .
N6 N 0.1066(3) 0.8107(5) 0.3761(3) 0.079(2) Uani 1 1 d . . .
N7 N 0.2842(3) 0.8882(4) 0.2003(3) 0.0523(14) Uani 1 1 d . . .
N8 N 0.3599(3) 1.0319(4) 0.1825(4) 0.081(2) Uani 1 1 d . . .
N9 N 0.2728(2) 0.7509(3) 0.1149(3) 0.0457(13) Uani 1 1 d . . .
N10 N 0.2758(2) 0.6752(3) 0.0736(3) 0.0447(13) Uani 1 1 d . . .
N11 N 0.2942(3) 0.5562(4) -0.0123(3) 0.0554(15) Uani 1 1 d . . .
N12 N 0.2388(4) 0.3895(5) -0.0211(5) 0.101(3) Uani 1 1 d . . .
N13 N 0.2879(3) 0.6802(5) 0.2544(3) 0.0633(17) Uani 1 1 d . . .
C1 C -0.0192(3) 0.8845(6) 0.0070(4) 0.072(2) Uani 1 1 d . . .
H1 H -0.0393 0.8755 0.0453 0.086 Uiso 1 1 calc R . .
C2 C -0.0175(4) 0.9229(7) -0.1043(4) 0.086(3) Uani 1 1 d . . .
H2 H -0.0365 0.9432 -0.1472 0.103 Uiso 1 1 calc R . .
C3 C 0.0407(4) 0.9062(6) -0.0989(4) 0.076(2) Uani 1 1 d . . .
H3 H 0.0600 0.9133 -0.1380 0.092 Uiso 1 1 calc R . .
C4 C 0.0404(3) 0.8684(5) 0.0147(3) 0.0526(17) Uani 1 1 d . . .
C5 C 0.0752(3) 0.8384(4) 0.0792(3) 0.0470(16) Uani 1 1 d . . .
C6 C 0.1101(3) 0.8130(4) 0.1826(3) 0.0437(15) Uani 1 1 d . . .
C7 C 0.1245(3) 0.8030(4) 0.2576(3) 0.0473(16) Uani 1 1 d . . .
C8 C 0.1996(3) 0.7694(5) 0.3450(3) 0.063(2) Uani 1 1 d . . .
H8 H 0.2385 0.7532 0.3603 0.075 Uiso 1 1 calc R . .
C9 C 0.1610(4) 0.7844(6) 0.3935(4) 0.074(2) Uani 1 1 d . . .
H9 H 0.1745 0.7752 0.4407 0.089 Uiso 1 1 calc R . .
C10 C 0.0888(3) 0.8206(5) 0.3079(4) 0.062(2) Uani 1 1 d . . .
H10 H 0.0504 0.8402 0.2936 0.074 Uiso 1 1 calc R . .
C11 C 0.2902(3) 0.9604(5) 0.2444(4) 0.061(2) Uani 1 1 d . . .
H11 H 0.2686 0.9624 0.2821 0.073 Uiso 1 1 calc R . .
C12 C 0.3275(4) 1.0300(5) 0.2341(4) 0.071(2) Uani 1 1 d . . .
H12 H 0.3299 1.0780 0.2650 0.085 Uiso 1 1 calc R . .
C13 C 0.3533(4) 0.9620(5) 0.1377(4) 0.068(2) Uani 1 1 d . . .
H13 H 0.3743 0.9619 0.0996 0.081 Uiso 1 1 calc R . .
C14 C 0.3164(3) 0.8902(5) 0.1462(3) 0.0514(17) Uani 1 1 d . . .
C15 C 0.3113(3) 0.8110(4) 0.1011(3) 0.0414(15) Uani 1 1 d . . .
C16 C 0.2411(3) 0.6061(4) 0.0803(3) 0.0483(17) Uani 1 1 d . . .
C17 C 0.2541(3) 0.5348(5) 0.0299(4) 0.0573(18) Uani 1 1 d . . .
C18 C 0.3072(4) 0.4934(6) -0.0586(4) 0.078(2) Uani 1 1 d . . .
H18 H 0.3355 0.5051 -0.0877 0.094 Uiso 1 1 calc R . .
C19 C 0.2788(5) 0.4136(6) -0.0623(5) 0.103(3) Uani 1 1 d . . .
H19 H 0.2878 0.3728 -0.0957 0.123 Uiso 1 1 calc R . .
C20 C 0.2269(4) 0.4535(5) 0.0251(5) 0.078(2) Uani 1 1 d . . .
H20 H 0.1990 0.4413 0.0547 0.093 Uiso 1 1 calc R . .
C21 C 0.3175(3) 0.6192(5) 0.2514(3) 0.0550(18) Uani 1 1 d . . .
O4 O 0.0613(6) 0.5888(8) -0.0058(7) 0.224(7) Uani 1 1 d D . .
N14 N 0.0179(5) 0.6077(8) 0.0869(6) 0.143(4) Uani 1 1 d D . .
C22 C -0.0387(5) 0.6288(8) 0.0484(6) 0.273(13) Uani 1 1 d D . .
H22A H -0.0418 0.6924 0.0416 0.409 Uiso 1 1 calc R . .
H22B H -0.0694 0.6088 0.0742 0.409 Uiso 1 1 calc R . .
H22C H -0.0427 0.5995 0.0038 0.409 Uiso 1 1 calc R . .
C23 C 0.0196(5) 0.6074(8) 0.1629(6) 0.201(8) Uani 1 1 d RD . .
H23A H -0.0087 0.5650 0.1754 0.301 Uiso 1 1 d R . .
H23B H 0.0102 0.6659 0.1786 0.301 Uiso 1 1 d R . .
H23C H 0.0584 0.5908 0.1844 0.301 Uiso 1 1 d R . .
C24 C 0.0660(6) 0.5913(13) 0.0590(8) 0.219(11) Uani 1 1 d D . .
H24 H 0.1021 0.5821 0.0866 0.262 Uiso 1 1 calc R . .
O5 O 0.3538(11) 0.7945(17) 0.3995(12) 0.158(13) Uani 0.41(2) 1 d PU A 1
O5' O 0.9261(19) 0.650(3) 0.8500(19) 0.42(3) Uani 0.59(2) 1 d PU A 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'
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'
S S 0.1246 0.1234 '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
N10 Cu1 O3 80.9(2) . .
N10 Cu1 N3 168.3(2) . 7_565
O3 Cu1 N3 104.1(2) . 7_565
N10 Cu1 N11 78.9(2) . .
O3 Cu1 N11 159.8(2) . .
N3 Cu1 N11 96.0(2) 7_565 .
N10 Cu1 N2 117.5(2) . 7_565
O3 Cu1 N2 96.8(2) . 7_565
N3 Cu1 N2 72.8(2) 7_565 7_565
N11 Cu1 N2 91.6(2) . 7_565
N9 Cu2 N13 93.6(2) . .
N9 Cu2 N4 96.3(2) . .
N13 Cu2 N4 158.8(2) . .
N9 Cu2 N5 173.2(2) . .
N13 Cu2 N5 92.5(2) . .
N4 Cu2 N5 78.9(2) . .
C5 O1 C6 101.3(5) . .
C15 O3 Cu1 111.5(4) . .
C2 N1 C1 114.4(7) . .
C3 N2 C4 116.3(6) . .
C3 N2 Cu1 134.0(5) . 7_565
C4 N2 Cu1 108.5(4) . 7_565
C5 N3 N4 105.9(5) . .
C5 N3 Cu1 124.3(4) . 7_565
N4 N3 Cu1 129.2(4) . 7_565
C6 N4 N3 105.8(5) . .
C6 N4 Cu2 117.0(4) . .
N3 N4 Cu2 137.2(4) . .
C8 N5 C7 118.0(6) . .
C8 N5 Cu2 127.6(5) . .
C7 N5 Cu2 114.4(4) . .
C9 N6 C10 116.3(6) . .
C14 N7 C11 116.2(6) . .
C14 N7 Cu2 109.7(4) . .
C11 N7 Cu2 134.1(5) . .
C12 N8 C13 116.1(7) . .
C15 N9 N10 110.9(5) . .
C15 N9 Cu2 123.4(4) . .
N10 N9 Cu2 124.4(4) . .
C16 N10 N9 120.3(5) . .
C16 N10 Cu1 123.6(4) . .
N9 N10 Cu1 116.0(4) . .
C17 N11 C18 117.4(7) . .
C17 N11 Cu1 113.0(4) . .
C18 N11 Cu1 129.5(6) . .
C19 N12 C20 114.3(8) . .
C21 N13 Cu2 142.3(6) . .
N1 C1 C4 122.9(7) . .
N1 C1 H1 118.5 . .
C4 C1 H1 118.5 . .
N1 C2 C3 124.1(8) . .
N1 C2 H2 117.9 . .
C3 C2 H2 117.9 . .
N2 C3 C2 121.5(7) . .
N2 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
N2 C4 C1 120.7(6) . .
N2 C4 C5 114.7(6) . .
C1 C4 C5 124.6(6) . .
N3 C5 O1 113.5(6) . .
N3 C5 C4 118.9(5) . .
O1 C5 C4 127.4(6) . .
N4 C6 O1 113.4(5) . .
N4 C6 C7 116.3(6) . .
O1 C6 C7 130.2(6) . .
N5 C7 C10 119.0(6) . .
N5 C7 C6 113.4(5) . .
C10 C7 C6 127.5(6) . .
N5 C8 C9 120.6(7) . .
N5 C8 H8 119.7 . .
C9 C8 H8 119.7 . .
N6 C9 C8 123.0(7) . .
N6 C9 H9 118.5 . .
C8 C9 H9 118.5 . .
N6 C10 C7 122.9(7) . .
N6 C10 H10 118.5 . .
C7 C10 H10 118.5 . .
N7 C11 C12 121.2(7) . .
N7 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
N8 C12 C11 123.2(7) . .
N8 C12 H12 118.4 . .
C11 C12 H12 118.4 . .
N8 C13 C14 122.7(6) . .
N8 C13 H13 118.7 . .
C14 C13 H13 118.7 . .
N7 C14 C13 120.6(6) . .
N7 C14 C15 115.5(6) . .
C13 C14 C15 123.8(6) . .
N9 C15 O3 120.6(6) . .
N9 C15 C14 115.9(5) . .
O3 C15 C14 123.5(6) . .
O2 C16 N10 129.0(6) . .
O2 C16 C17 122.4(6) . .
N10 C16 C17 108.6(5) . .
N11 C17 C20 120.9(7) . .
N11 C17 C16 115.8(6) . .
C20 C17 C16 123.3(7) . .
C19 C18 N11 120.0(8) . .
C19 C18 H18 120.0 . .
N11 C18 H18 120.0 . .
N12 C19 C18 124.5(8) . .
N12 C19 H19 117.8 . .
C18 C19 H19 117.8 . .
C17 C20 N12 122.9(8) . .
C17 C20 H20 118.5 . .
N12 C20 H20 118.5 . .
N13 C21 S1 178.8(8) . .
N14 C22 H22A 109.5 . .
N14 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
N14 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N14 C23 H23A 109.1 . .
N14 C23 H23B 109.8 . .
H23A C23 H23B 109.5 . .
N14 C23 H23C 109.6 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O4 C24 H24 121.5 . .
N14 C24 H24 121.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N10 1.892(5) .
Cu1 O3 1.945(5) .
Cu1 N3 1.970(5) 7_565
Cu1 N11 2.045(6) .
Cu1 N2 2.465(6) 7_565
Cu2 N9 1.961(5) .
Cu2 N13 1.973(6) .
Cu2 N4 1.991(5) .
Cu2 N5 2.063(5) .
S1 C21 1.626(8) .
O1 C5 1.344(7) .
O1 C6 1.346(8) .
O2 C16 1.243(7) .
O3 C15 1.331(7) .
N1 C2 1.322(10) .
N1 C1 1.328(9) .
N2 C3 1.323(9) .
N2 C4 1.339(8) .
N2 Cu1 2.465(6) 7_565
N3 C5 1.325(8) .
N3 N4 1.355(7) .
N3 Cu1 1.970(5) 7_565
N4 C6 1.326(7) .
N5 C8 1.306(8) .
N5 C7 1.369(8) .
N6 C9 1.302(10) .
N6 C10 1.332(9) .
N7 C14 1.355(8) .
N7 C11 1.370(8) .
N8 C12 1.317(9) .
N8 C13 1.351(9) .
N9 C15 1.309(8) .
N9 N10 1.390(7) .
N10 C16 1.320(8) .
N11 C17 1.342(8) .
N11 C18 1.355(9) .
N12 C19 1.339(12) .
N12 C20 1.358(10) .
N13 C21 1.141(8) .
C1 C4 1.371(10) .
C1 H1 0.9300 .
C2 C3 1.342(11) .
C2 H2 0.9300 .
C3 H3 0.9300 .
C4 C5 1.455(9) .
C6 C7 1.447(8) .
C7 C10 1.373(8) .
C8 C9 1.387(10) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.376(10) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.387(10) .
C13 H13 0.9300 .
C14 C15 1.463(9) .
C16 C17 1.499(9) .
C17 C20 1.363(10) .
C18 C19 1.354(12) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 H20 0.9300 .
O4 C24 1.24(2) .
N14 C24 1.310(9) .
N14 C22 1.436(9) .
N14 C23 1.46043 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24 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
N10 Cu1 O3 C15 0.5(4) .
N3 Cu1 O3 C15 169.8(4) 7_565
N11 Cu1 O3 C15 -2.3(10) .
N2 Cu1 O3 C15 -116.4(4) 7_565
C5 N3 N4 C6 -0.4(7) .
Cu1 N3 N4 C6 171.6(4) 7_565
C5 N3 N4 Cu2 -179.8(5) .
Cu1 N3 N4 Cu2 -7.8(9) 7_565
N9 Cu2 N4 C6 -177.4(5) .
N13 Cu2 N4 C6 65.3(8) .
N5 Cu2 N4 C6 -2.3(5) .
N7 Cu2 N4 C6 -101.3(5) .
N9 Cu2 N4 N3 1.9(6) .
N13 Cu2 N4 N3 -115.3(7) .
N5 Cu2 N4 N3 177.0(6) .
N7 Cu2 N4 N3 78.0(6) .
N13 Cu2 N5 C8 21.8(7) .
N4 Cu2 N5 C8 -177.7(7) .
N7 Cu2 N5 C8 -78.3(6) .
N13 Cu2 N5 C7 -158.1(5) .
N4 Cu2 N5 C7 2.3(4) .
N7 Cu2 N5 C7 101.7(5) .
N9 Cu2 N7 C14 -1.1(4) .
N13 Cu2 N7 C14 90.2(5) .
N4 Cu2 N7 C14 -94.7(4) .
N5 Cu2 N7 C14 -175.4(4) .
N9 Cu2 N7 C11 179.5(7) .
N13 Cu2 N7 C11 -89.2(7) .
N4 Cu2 N7 C11 85.9(7) .
N5 Cu2 N7 C11 5.2(7) .
N13 Cu2 N9 C15 -94.4(5) .
N4 Cu2 N9 C15 104.4(5) .
N7 Cu2 N9 C15 4.5(5) .
N13 Cu2 N9 N10 71.1(5) .
N4 Cu2 N9 N10 -90.1(5) .
N7 Cu2 N9 N10 169.9(5) .
C15 N9 N10 C16 178.9(6) .
Cu2 N9 N10 C16 11.9(8) .
C15 N9 N10 Cu1 -4.1(7) .
Cu2 N9 N10 Cu1 -171.1(3) .
O3 Cu1 N10 C16 178.8(6) .
N3 Cu1 N10 C16 62.6(13) 7_565
N11 Cu1 N10 C16 -2.2(5) .
N2 Cu1 N10 C16 -88.2(6) 7_565
O3 Cu1 N10 N9 2.0(4) .
N3 Cu1 N10 N9 -114.2(11) 7_565
N11 Cu1 N10 N9 -179.0(5) .
N2 Cu1 N10 N9 95.0(4) 7_565
N10 Cu1 N11 C17 0.0(5) .
O3 Cu1 N11 C17 2.9(10) .
N3 Cu1 N11 C17 -169.4(5) 7_565
N2 Cu1 N11 C17 117.8(5) 7_565
N10 Cu1 N11 C18 -177.9(7) .
O3 Cu1 N11 C18 -175.0(7) .
N3 Cu1 N11 C18 12.7(7) 7_565
N2 Cu1 N11 C18 -60.1(7) 7_565
N9 Cu2 N13 C21 -37.0(10) .
N4 Cu2 N13 C21 80.7(12) .
N5 Cu2 N13 C21 146.0(10) .
N7 Cu2 N13 C21 -112.6(10) .
C2 N1 C1 C4 0.4(14) .
C1 N1 C2 C3 0.9(15) .
C4 N2 C3 C2 1.8(13) .
Cu1 N2 C3 C2 168.2(7) 7_565
N1 C2 C3 N2 -2.1(16) .
C3 N2 C4 C1 -0.6(11) .
Cu1 N2 C4 C1 -170.3(6) 7_565
C3 N2 C4 C5 179.3(7) .
Cu1 N2 C4 C5 9.6(7) 7_565
N1 C1 C4 N2 -0.5(13) .
N1 C1 C4 C5 179.6(8) .
N4 N3 C5 O1 0.4(8) .
Cu1 N3 C5 O1 -172.0(4) 7_565
N4 N3 C5 C4 175.0(6) .
Cu1 N3 C5 C4 2.5(9) 7_565
C6 O1 C5 N3 -0.2(8) .
C6 O1 C5 C4 -174.2(7) .
N2 C4 C5 N3 -9.0(10) .
C1 C4 C5 N3 170.8(7) .
N2 C4 C5 O1 164.7(7) .
C1 C4 C5 O1 -15.4(12) .
N3 N4 C6 O1 0.3(7) .
Cu2 N4 C6 O1 179.8(4) .
N3 N4 C6 C7 -177.6(5) .
Cu2 N4 C6 C7 1.9(8) .
C5 O1 C6 N4 0.0(7) .
C5 O1 C6 C7 177.4(7) .
C8 N5 C7 C10 1.6(10) .
Cu2 N5 C7 C10 -178.4(5) .
C8 N5 C7 C6 178.1(6) .
Cu2 N5 C7 C6 -2.0(7) .
N4 C6 C7 N5 0.1(9) .
O1 C6 C7 N5 -177.3(7) .
N4 C6 C7 C10 176.2(7) .
O1 C6 C7 C10 -1.2(12) .
C7 N5 C8 C9 1.1(11) .
Cu2 N5 C8 C9 -178.9(6) .
C10 N6 C9 C8 1.8(14) .
N5 C8 C9 N6 -2.9(14) .
C9 N6 C10 C7 1.1(13) .
N5 C7 C10 N6 -2.8(12) .
C6 C7 C10 N6 -178.7(7) .
C14 N7 C11 C12 -0.8(10) .
Cu2 N7 C11 C12 178.6(6) .
C13 N8 C12 C11 2.1(13) .
N7 C11 C12 N8 -0.6(13) .
C12 N8 C13 C14 -2.3(13) .
C11 N7 C14 C13 0.6(10) .
Cu2 N7 C14 C13 -179.0(6) .
C11 N7 C14 C15 177.7(6) .
Cu2 N7 C14 C15 -1.8(7) .
N8 C13 C14 N7 1.0(12) .
N8 C13 C14 C15 -175.9(8) .
N10 N9 C15 O3 4.8(8) .
Cu2 N9 C15 O3 172.0(4) .
N10 N9 C15 C14 -174.2(5) .
Cu2 N9 C15 C14 -7.0(8) .
Cu1 O3 C15 N9 -3.3(8) .
Cu1 O3 C15 C14 175.6(5) .
N7 C14 C15 N9 5.4(9) .
C13 C14 C15 N9 -177.6(7) .
N7 C14 C15 O3 -173.6(6) .
C13 C14 C15 O3 3.4(11) .
N9 N10 C16 O2 -0.9(10) .
Cu1 N10 C16 O2 -177.6(5) .
N9 N10 C16 C17 -179.8(6) .
Cu1 N10 C16 C17 3.5(8) .
C18 N11 C17 C20 -1.3(11) .
Cu1 N11 C17 C20 -179.4(6) .
C18 N11 C17 C16 179.9(7) .
Cu1 N11 C17 C16 1.7(8) .
O2 C16 C17 N11 177.8(6) .
N10 C16 C17 N11 -3.2(9) .
O2 C16 C17 C20 -1.0(12) .
N10 C16 C17 C20 178.0(7) .
C17 N11 C18 C19 1.9(13) .
Cu1 N11 C18 C19 179.7(7) .
C20 N12 C19 C18 1.7(17) .
N11 C18 C19 N12 -2.2(17) .
N11 C17 C20 N12 0.9(14) .
C16 C17 C20 N12 179.6(8) .
C19 N12 C20 C17 -1.0(15) .
C22 N14 C24 O4 -5(3) .
