#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:14:44 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179657 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/10/4511052.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_4511052
loop_
_publ_author_name
'Liu, Can'
'Ding, You-Bang'
'Shi, Xu-Hua'
'Zhang, Dan'
'Hu, Mei-Hong'
'Yin, Ye-Gao'
'Li, Dan'
_publ_section_title
;
 Interpenetrating Metal−Organic Frameworks Assembled from
 Polypyridine Ligands and Cyanocuprate Catenations
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1275
_journal_paper_doi               10.1021/cg801217j
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C46 H28 Cu7 N16'
_chemical_formula_weight         1249.62
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.051(2)
_cell_angle_beta                 99.992(2)
_cell_angle_gamma                102.446(2)
_cell_formula_units_Z            1
_cell_length_a                   7.1824(8)
_cell_length_b                   11.5203(12)
_cell_length_c                   14.1814(15)
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.280
_cell_measurement_theta_min      2.49
_cell_volume                     1118.8(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      273(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_diffrn_measurement_device_type  'Bruker APEX area-detector'
_diffrn_measurement_method       'φ and ω'
_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  0.0136
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5414
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    3.318
_exptl_absorpt_correction_T_max  0.628
_exptl_absorpt_correction_T_min  0.474
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slice
_exptl_crystal_F_000             619
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.916
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         3714
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0451
_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)+(0.0553P)²+1.9082P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1095
_refine_ls_wR_factor_ref         0.1138
_reflns_number_gt                3188
_reflns_number_total             3950
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg801217j_si_001.cif
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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_database_code               4511052
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
N1 N 0.3780(6) 1.0443(4) 0.8828(3) 0.0401(10) Uani 1 1 d .
Cu1 Cu 0.13586(8) -0.04847(5) 0.48035(4) 0.03719(18) Uani 1 1 d .
Cu2 Cu 0.17705(9) 0.24144(6) 0.26578(4) 0.04234(19) Uani 1 1 d .
Cu3 Cu 0.41181(10) 1.20002(6) 0.96754(5) 0.0480(2) Uani 1 1 d .
Cu4 Cu 1.0000 1.5000 1.0000 0.0890(5) Uani 1 2 d S
N2 N 0.2330(5) 0.4906(3) 0.5925(3) 0.0326(9) Uani 1 1 d .
N5 N 0.0263(6) 0.1118(4) 0.4238(4) 0.0545(12) Uani 1 1 d .
C8 C 0.2120(6) 0.4941(4) 0.6843(3) 0.0311(10) Uani 1 1 d .
C6 C 0.3077(6) 0.7083(4) 0.7083(3) 0.0301(10) Uani 1 1 d .
C19 C -0.0620(7) -0.2780(4) 0.3605(4) 0.0364(11) Uani 1 1 d .
C9 C 0.2914(6) 0.5927(4) 0.5569(3) 0.0308(10) Uani 1 1 d .
C21 C 0.0923(6) 0.1624(4) 0.3677(3) 0.0252(9) Uani 1 1 d .
N3 N 0.2504(6) 0.4265(4) 0.3138(3) 0.0390(9) Uani 1 1 d .
C10 C 0.3282(7) 0.7033(4) 0.6123(3) 0.0340(11) Uani 1 1 d .
C11 C 0.3074(7) 0.5740(4) 0.4536(3) 0.0333(10) Uani 1 1 d .
C5 C 0.4629(8) 1.0359(5) 0.8063(4) 0.0433(12) Uani 1 1 d .
C15 C 0.3826(8) 0.6621(5) 0.4010(4) 0.0431(12) Uani 1 1 d .
N4 N 0.0161(6) -0.1668(3) 0.3482(3) 0.0371(9) Uani 1 1 d .
C3 C 0.3360(6) 0.8250(4) 0.7687(3) 0.0309(10) Uani 1 1 d .
C12 C 0.2425(7) 0.4584(5) 0.4053(3) 0.0370(11) Uani 1 1 d .
C4 C 0.4469(7) 0.9311(4) 0.7487(4) 0.0393(11) Uani 1 1 d .
C22 C 0.2195(7) 0.2116(5) 0.1406(3) 0.0376(11) Uani 1 1 d .
C17 C 0.1257(8) 0.3493(5) 0.8043(4) 0.0449(12) Uani 1 1 d .
C16 C 0.1350(6) 0.3741(4) 0.7121(3) 0.0328(10) Uani 1 1 d .
C13 C 0.3228(8) 0.5144(5) 0.2646(4) 0.0425(12) Uani 1 1 d .
C14 C 0.3875(8) 0.6319(5) 0.3056(4) 0.0458(13) Uani 1 1 d .
C2 C 0.2494(7) 0.8339(5) 0.8481(4) 0.0373(11) Uani 1 1 d .
C1 C 0.2724(8) 0.9426(5) 0.9013(4) 0.0416(12) Uani 1 1 d .
C18 C 0.0449(9) 0.2340(5) 0.8189(4) 0.0503(14) Uani 1 1 d .
C7 C 0.2515(7) 0.6009(4) 0.7442(3) 0.0337(10) Uani 1 1 d .
N7 N 0.2613(7) 1.1979(5) 1.0667(4) 0.0588(13) Uani 1 1 d .
C23 C 0.7657(9) 1.3976(6) 0.9720(4) 0.0653(19) Uani 1 1 d .
N6 N 0.6255(10) 1.3271(6) 0.9597(4) 0.0808(17) Uani 1 1 d .
N8 N 0.4169(5) -0.0097(4) 0.4961(3) 0.0411(10) Uani 1 1 d .
C20 C 0.0243(7) -0.1454(5) 0.2579(4) 0.0421(12) Uani 1 1 d .
H4 H 0.507(7) 0.928(4) 0.697(4) 0.035(13) Uiso 1 1 d .
H7 H 0.239(7) 0.604(4) 0.805(4) 0.043(14) Uiso 1 1 d .
H17 H 0.175(8) 0.406(5) 0.856(4) 0.046(15) Uiso 1 1 d .
H13 H 0.325(6) 0.492(4) 0.200(3) 0.030(12) Uiso 1 1 d .
H12 H 0.189(7) 0.395(4) 0.436(3) 0.036(13) Uiso 1 1 d .
H1 H 0.217(7) 0.949(4) 0.948(4) 0.036(14) Uiso 1 1 d .
H10 H 0.360(7) 0.765(4) 0.589(3) 0.028(13) Uiso 1 1 d .
H2 H 0.186(7) 0.769(5) 0.867(3) 0.036(14) Uiso 1 1 d .
H5 H 0.531(8) 1.102(5) 0.795(4) 0.048(16) Uiso 1 1 d .
H14 H 0.439(8) 0.688(5) 0.267(4) 0.059(17) Uiso 1 1 d .
H18 H 0.038(8) 0.217(5) 0.870(4) 0.044(16) Uiso 1 1 d .
H20 H 0.071(8) -0.069(5) 0.250(4) 0.050(16) Uiso 1 1 d .
H19 H -0.062(7) -0.291(4) 0.421(4) 0.038(13) Uiso 1 1 d .
H15 H 0.433(7) 0.736(5) 0.428(4) 0.041(15) Uiso 1 1 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'
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
C1 N1 C5 115.9(4) . .
C1 N1 Cu3 121.3(3) . .
C5 N1 Cu3 122.7(3) . .
N8 Cu1 N5 127.98(18) . 2_556
N8 Cu1 N4 108.19(17) . .
N5 Cu1 N4 105.52(17) 2_556 .
N8 Cu1 N5 107.72(17) . .
N5 Cu1 N5 107.79(17) 2_556 .
N4 Cu1 N5 94.56(15) . .
N8 Cu1 Cu1 139.45(13) . 2_556
N5 Cu1 Cu1 59.08(13) 2_556 2_556
N4 Cu1 Cu1 106.42(11) . 2_556
N5 Cu1 Cu1 48.71(13) . 2_556
C22 Cu2 C21 142.0(2) . .
C22 Cu2 N3 110.89(19) . .
C21 Cu2 N3 107.12(17) . .
N6 Cu3 N7 124.7(2) . .
N6 Cu3 N1 117.0(2) . .
N7 Cu3 N1 117.0(2) . .
C23 Cu4 C23 180.0(4) . 2_787
C8 N2 C9 119.5(4) . .
C21 N5 Cu1 166.0(4) . 2_556
C21 N5 Cu1 121.7(4) . .
Cu1 N5 Cu1 72.21(17) 2_556 .
N2 C8 C7 121.7(4) . .
N2 C8 C16 113.5(4) . .
C7 C8 C16 124.7(4) . .
C7 C6 C10 117.8(4) . .
C7 C6 C3 121.1(4) . .
C10 C6 C3 121.0(4) . .
N4 C19 C16 125.8(5) . 2_556
N4 C19 H19 116(3) . .
C16 C19 H19 118(3) 2_556 .
N2 C9 C10 121.8(4) . .
N2 C9 C11 113.2(4) . .
C10 C9 C11 125.0(4) . .
N5 C21 Cu2 174.2(4) . .
C12 N3 C13 116.8(5) . .
C12 N3 Cu2 116.3(3) . .
C13 N3 Cu2 126.4(3) . .
C9 C10 C6 119.3(5) . .
C9 C10 H10 121(3) . .
C6 C10 H10 120(3) . .
C15 C11 C12 116.6(4) . .
C15 C11 C9 125.8(5) . .
C12 C11 C9 117.6(4) . .
N1 C5 C4 124.2(5) . .
N1 C5 H5 115(4) . .
C4 C5 H5 120(4) . .
C14 C15 C11 119.5(5) . .
C14 C15 H15 119(3) . .
C11 C15 H15 121(3) . .
C19 N4 C20 117.0(4) . .
C19 N4 Cu1 114.0(3) . .
C20 N4 Cu1 128.7(3) . .
C2 C3 C4 116.1(4) . .
C2 C3 C6 121.2(4) . .
C4 C3 C6 122.7(4) . .
N3 C12 C11 125.0(5) . .
N3 C12 H12 113(3) . .
C11 C12 H12 122(3) . .
C5 C4 C3 119.5(5) . .
C5 C4 H4 123(3) . .
C3 C4 H4 118(3) . .
N7 C22 Cu2 174.4(4) 1_544 .
C16 C17 C18 119.3(5) . .
C16 C17 H17 122(3) . .
C18 C17 H17 119(3) . .
C17 C16 C19 116.0(5) . 2_556
C17 C16 C8 125.7(4) . .
C19 C16 C8 118.3(4) 2_556 .
N3 C13 C14 122.5(5) . .
N3 C13 H13 116(3) . .
C14 C13 H13 121(3) . .
C13 C14 C15 119.6(5) . .
C13 C14 H14 118(4) . .
C15 C14 H14 123(4) . .
C1 C2 C3 120.4(5) . .
C1 C2 H2 120(3) . .
C3 C2 H2 120(3) . .
N1 C1 C2 123.8(5) . .
N1 C1 H1 115(4) . .
C2 C1 H1 121(4) . .
C20 C18 C17 120.2(5) 2_556 .
C20 C18 H18 118(4) 2_556 .
C17 C18 H18 122(4) . .
C8 C7 C6 119.8(4) . .
C8 C7 H7 123(3) . .
C6 C7 H7 118(3) . .
C22 N7 Cu3 161.5(5) 1_566 .
N6 C23 Cu4 173.9(7) . .
C23 N6 Cu3 166.8(6) . .
N8 N8 Cu1 177.9(6) 2_656 .
N4 C20 C18 121.8(5) . 2_556
N4 C20 H20 116(4) . .
C18 C20 H20 122(4) 2_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C1 1.325(7) .
N1 C5 1.340(6) .
N1 Cu3 2.014(4) .
Cu1 N8 1.940(4) .
Cu1 N5 2.023(6) 2_556
Cu1 N4 2.144(4) .
Cu1 N5 2.310(5) .
Cu1 Cu1 2.5640(11) 2_556
Cu2 C22 1.868(5) .
Cu2 C21 1.894(4) .
Cu2 N3 2.103(4) .
Cu3 N6 1.906(7) .
Cu3 N7 1.916(5) .
Cu4 C23 1.792(6) .
Cu4 C23 1.792(6) 2_787
N2 C8 1.335(6) .
N2 C9 1.335(6) .
N5 C21 1.136(6) .
N5 Cu1 2.023(6) 2_556
C8 C7 1.378(6) .
C8 C16 1.488(6) .
C6 C7 1.386(7) .
C6 C10 1.392(6) .
C6 C3 1.483(6) .
C19 N4 1.323(6) .
C19 C16 1.386(7) 2_556
C19 H19 0.89(5) .
C9 C10 1.384(6) .
C9 C11 1.491(6) .
N3 C12 1.331(6) .
N3 C13 1.344(6) .
C10 H10 0.81(5) .
C11 C15 1.383(7) .
C11 C12 1.387(7) .
C5 C4 1.368(7) .
C5 H5 0.86(6) .
C15 C14 1.375(8) .
C15 H15 0.87(5) .
N4 C20 1.335(6) .
C3 C2 1.385(7) .
C3 C4 1.389(7) .
C12 H12 0.93(5) .
C4 H4 0.92(5) .
C22 N7 1.145(6) 1_544
C17 C16 1.373(7) .
C17 C18 1.379(8) .
C17 H17 0.90(5) .
C16 C19 1.386(7) 2_556
C13 C14 1.372(8) .
C13 H13 0.94(5) .
C14 H14 0.94(6) .
C2 C1 1.365(7) .
C2 H2 0.88(5) .
C1 H1 0.84(5) .
C18 C20 1.369(8) 2_556
C18 H18 0.77(6) .
C7 H7 0.89(5) .
N7 C22 1.145(6) 1_566
C23 N6 1.125(8) .
N8 N8 1.149(7) 2_656
C20 C18 1.369(8) 2_556
C20 H20 0.89(6) .
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
C1 N1 Cu3 N6 160.8(4) . .
C5 N1 Cu3 N6 -17.7(5) . .
C1 N1 Cu3 N7 -6.9(5) . .
C5 N1 Cu3 N7 174.6(4) . .
N8 Cu1 N5 C21 39.8(5) . .
N5 Cu1 N5 C21 -178.9(5) 2_556 .
N4 Cu1 N5 C21 -71.0(4) . .
Cu1 Cu1 N5 C21 -178.9(5) 2_556 .
N8 Cu1 N5 Cu1 -141.35(16) . 2_556
N5 Cu1 N5 Cu1 0.0 2_556 2_556
N4 Cu1 N5 Cu1 107.90(14) . 2_556
C9 N2 C8 C7 -0.9(6) . .
C9 N2 C8 C16 176.6(4) . .
C8 N2 C9 C10 -1.0(6) . .
C8 N2 C9 C11 -179.9(4) . .
Cu1 N5 C21 Cu2 -59(5) 2_556 .
Cu1 N5 C21 Cu2 117(4) . .
C22 Cu2 C21 N5 -65(4) . .
N3 Cu2 C21 N5 116(4) . .
C22 Cu2 N3 C12 -174.3(4) . .
C21 Cu2 N3 C12 5.1(4) . .
C22 Cu2 N3 C13 -1.5(5) . .
C21 Cu2 N3 C13 177.8(4) . .
N2 C9 C10 C6 1.3(7) . .
C11 C9 C10 C6 -180.0(4) . .
C7 C6 C10 C9 0.3(6) . .
C3 C6 C10 C9 -176.9(4) . .
N2 C9 C11 C15 -173.2(5) . .
C10 C9 C11 C15 8.0(7) . .
N2 C9 C11 C12 6.5(6) . .
C10 C9 C11 C12 -172.3(4) . .
C1 N1 C5 C4 -0.3(8) . .
Cu3 N1 C5 C4 178.3(4) . .
C12 C11 C15 C14 0.6(7) . .
C9 C11 C15 C14 -179.7(5) . .
C16 C19 N4 C20 0.3(7) 2_556 .
C16 C19 N4 Cu1 -174.5(4) 2_556 .
N8 Cu1 N4 C19 109.6(3) . .
N5 Cu1 N4 C19 -30.1(4) 2_556 .
N5 Cu1 N4 C19 -140.0(3) . .
Cu1 Cu1 N4 C19 -91.8(3) 2_556 .
N8 Cu1 N4 C20 -64.4(4) . .
N5 Cu1 N4 C20 155.8(4) 2_556 .
N5 Cu1 N4 C20 45.9(4) . .
Cu1 Cu1 N4 C20 94.1(4) 2_556 .
C7 C6 C3 C2 -21.6(6) . .
C10 C6 C3 C2 155.5(4) . .
C7 C6 C3 C4 159.5(5) . .
C10 C6 C3 C4 -23.5(6) . .
C13 N3 C12 C11 -1.6(7) . .
Cu2 N3 C12 C11 171.8(4) . .
C15 C11 C12 N3 1.1(7) . .
C9 C11 C12 N3 -178.6(4) . .
N1 C5 C4 C3 0.3(9) . .
C2 C3 C4 C5 -0.6(7) . .
C6 C3 C4 C5 178.5(4) . .
C21 Cu2 C22 N7 -119(5) . 1_544
N3 Cu2 C22 N7 60(5) . 1_544
C18 C17 C16 C19 -0.6(8) . 2_556
C18 C17 C16 C8 178.0(5) . .
N2 C8 C16 C17 170.0(5) . .
C7 C8 C16 C17 -12.7(7) . .
N2 C8 C16 C19 -11.4(6) . 2_556
C7 C8 C16 C19 166.0(4) . 2_556
C12 N3 C13 C14 0.4(7) . .
Cu2 N3 C13 C14 -172.3(4) . .
N3 C13 C14 C15 1.2(8) . .
C11 C15 C14 C13 -1.7(8) . .
C4 C3 C2 C1 0.9(7) . .
C6 C3 C2 C1 -178.1(4) . .
C5 N1 C1 C2 0.7(8) . .
Cu3 N1 C1 C2 -177.9(4) . .
C3 C2 C1 N1 -1.0(8) . .
C16 C17 C18 C20 0.3(9) . 2_556
N2 C8 C7 C6 2.4(7) . .
C16 C8 C7 C6 -174.7(4) . .
C10 C6 C7 C8 -2.1(6) . .
C3 C6 C7 C8 175.1(4) . .
N6 Cu3 N7 C22 -36.4(17) . 1_566
N1 Cu3 N7 C22 130.2(15) . 1_566
C23 Cu4 C23 N6 127(100) 2_787 .
Cu4 C23 N6 Cu3 27(9) . .
N7 Cu3 N6 C23 58(3) . .
N1 Cu3 N6 C23 -109(3) . .
N5 Cu1 N8 N8 96(15) 2_556 2_656
N4 Cu1 N8 N8 -32(15) . 2_656
N5 Cu1 N8 N8 -133(15) . 2_656
Cu1 Cu1 N8 N8 -179(100) 2_556 2_656
C19 N4 C20 C18 0.1(7) . 2_556
Cu1 N4 C20 C18 174.0(4) . 2_556
