#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/68/7206815.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_7206815
loop_
_publ_author_name
'Han, Zheng-Bo'
'Zhang, Ming-Yang'
'Yuan, Da-Qiang'
'Fu, Shuai'
'Zhang, Guo-Xin'
'Wang, Xiao-Fang'
_publ_section_title
;
 Two unique self-penetrating metal--organic frameworks based on flexible
 tripodal ligands, Cu(ii) and N-containing bridging ligands
;
_journal_issue                   23
_journal_name_full               CrystEngComm
_journal_page_first              6945
_journal_paper_doi               10.1039/c1ce05749a
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C22 H22 Cu N5 O9.5'
_chemical_formula_weight         571.99
_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                 102.614(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   19.352(3)
_cell_length_b                   10.6369(14)
_cell_length_c                   26.107(3)
_cell_measurement_temperature    173(2)
_cell_volume                     5244.3(12)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker XSCANS'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0350
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            13905
_diffrn_reflns_theta_full        25.67
_diffrn_reflns_theta_max         25.67
_diffrn_reflns_theta_min         1.60
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.893
_exptl_absorpt_correction_T_max  0.8312
_exptl_absorpt_correction_T_min  0.7341
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_density_diffrn    1.449
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2352
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.722
_refine_diff_density_min         -0.761
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         4939
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0875
_refine_ls_R_factor_gt           0.0742
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1296P)²+28.8775P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2073
_refine_ls_wR_factor_ref         0.2188
_reflns_number_gt                3946
_reflns_number_total             4939
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05749a.txt
_cod_data_source_block           1
_cod_original_cell_volume        5244.3(13)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C22 H22 Cu N5 O9.50'
_cod_database_code               7206815
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 0.28955(3) 0.62221(5) 0.97313(2) 0.0206(2) Uani 1 1 d .
C1 C 0.4088(4) 0.8636(9) 1.2244(2) 0.067(3) Uani 1 1 d .
C2 C 0.4076(3) 0.6522(8) 1.2600(2) 0.0497(17) Uani 1 1 d .
C3 C 0.4095(4) 0.8338(8) 1.3176(3) 0.065(2) Uani 1 1 d .
C4 C 0.4063(3) 0.6775(9) 1.1668(2) 0.057(2) Uani 1 1 d .
H4A H 0.4291 0.5937 1.1705 0.068 Uiso 1 1 calc R
H4B H 0.4321 0.7316 1.1465 0.068 Uiso 1 1 calc R
C5 C 0.3296(3) 0.6643(6) 1.1372(2) 0.0385(14) Uani 1 1 d .
H5A H 0.3049 0.6039 1.1559 0.046 Uiso 1 1 calc R
H5B H 0.3055 0.7466 1.1364 0.046 Uiso 1 1 calc R
C6 C 0.3247(3) 0.6189(5) 1.0814(2) 0.0283(11) Uani 1 1 d .
C7 C 0.4068(3) 0.6173(7) 1.3522(2) 0.0452(16) Uani 1 1 d .
H7A H 0.4270 0.6585 1.3862 0.054 Uiso 1 1 calc R
H7B H 0.4346 0.5401 1.3498 0.054 Uiso 1 1 calc R
C8 C 0.3301(3) 0.5826(6) 1.3497(2) 0.0384(13) Uani 1 1 d .
H8B H 0.3004 0.6593 1.3432 0.046 Uiso 1 1 calc R
H8C H 0.3136 0.5239 1.3202 0.046 Uiso 1 1 calc R
C9 C 0.3216(3) 0.5220(5) 1.4002(2) 0.0279(11) Uani 1 1 d .
C10 C 0.4002(6) 1.0500(9) 1.2808(3) 0.088(3) Uani 1 1 d .
H10A H 0.4204 1.0731 1.3178 0.106 Uiso 1 1 calc R
H10B H 0.4270 1.0960 1.2585 0.106 Uiso 1 1 calc R
C11 C 0.3227(6) 1.0920(11) 1.2665(4) 0.091(3) Uani 1 1 d .
H11A H 0.2949 1.0240 1.2783 0.110 Uiso 1 1 calc R
H11B H 0.3091 1.0927 1.2277 0.110 Uiso 1 1 calc R
C12 C 0.2954(7) 1.2154(10) 1.2848(4) 0.096(3) Uani 1 1 d .
C13 C 0.3831(2) 0.8193(5) 0.94984(19) 0.0248(10) Uani 1 1 d .
H13A H 0.3396 0.8579 0.9335 0.030 Uiso 1 1 calc R
C14 C 0.4455(3) 0.8782(5) 0.9465(2) 0.0271(11) Uani 1 1 d .
H14A H 0.4445 0.9557 0.9282 0.033 Uiso 1 1 calc R
C15 C 0.5097(2) 0.8232(4) 0.97000(18) 0.0227(10) Uani 1 1 d .
C16 C 0.5074(3) 0.7093(5) 0.9963(2) 0.0308(11) Uani 1 1 d .
H16A H 0.5501 0.6686 1.0129 0.037 Uiso 1 1 calc R
C17 C 0.4432(3) 0.6565(5) 0.9981(2) 0.0319(11) Uani 1 1 d .
H17A H 0.4425 0.5793 1.0163 0.038 Uiso 1 1 calc R
C18 C 0.6459(3) 1.0374(5) 0.93287(19) 0.0300(11) Uani 1 1 d .
H18A H 0.6480 1.0988 0.9068 0.036 Uiso 1 1 calc R
C19 C 0.5830(2) 0.9751(5) 0.93083(19) 0.0288(11) Uani 1 1 d .
H19A H 0.5429 0.9936 0.9037 0.035 Uiso 1 1 calc R
C20 C 0.5782(2) 0.8853(4) 0.96842(19) 0.0233(10) Uani 1 1 d .
C21 C 0.6403(3) 0.8584(5) 1.0056(2) 0.0353(13) Uani 1 1 d .
H21A H 0.6404 0.7951 1.0313 0.042 Uiso 1 1 calc R
C22 C 0.7017(3) 0.9249(5) 1.0048(2) 0.0322(12) Uani 1 1 d .
H22A H 0.7436 0.9051 1.0300 0.039 Uiso 1 1 calc R
N1 N 0.4112(3) 0.7326(7) 1.21946(18) 0.0537(16) Uani 1 1 d .
N2 N 0.4122(3) 0.7042(6) 1.30820(17) 0.0502(15) Uani 1 1 d .
N3 N 0.4102(4) 0.9087(7) 1.2741(2) 0.068(2) Uani 1 1 d .
N4 N 0.38114(19) 0.7104(4) 0.97501(15) 0.0220(8) Uani 1 1 d .
N5 N 0.70409(19) 1.0150(4) 0.97004(16) 0.0237(9) Uani 1 1 d .
O1 O 0.4075(3) 0.9338(6) 1.18757(18) 0.084(2) Uani 1 1 d .
O2 O 0.4047(3) 0.5394(7) 1.25318(18) 0.0679(15) Uani 1 1 d .
O3 O 0.4092(4) 0.8760(6) 1.35990(18) 0.088(2) Uani 1 1 d .
O4 O 0.28495(16) 0.6827(3) 1.04458(11) 0.0222(7) Uani 1 1 d .
O5 O 0.3585(2) 0.5264(4) 1.07269(17) 0.0449(10) Uani 1 1 d .
O6 O 0.28734(17) 0.4177(3) 1.39696(14) 0.0282(7) Uani 1 1 d .
O7 O 0.3465(2) 0.5723(4) 1.44269(14) 0.0338(8) Uani 1 1 d .
O8 O 0.3291(4) 1.2457(7) 1.3309(3) 0.096(2) Uani 1 1 d .
H8A H 0.3058 1.2997 1.3435 0.144 Uiso 1 1 calc R
O9 O 0.2468(5) 1.2772(8) 1.2619(3) 0.115(3) Uani 1 1 d .
O1W O 0.4089(11) 0.312(2) 1.1261(8) 0.060(5) Uiso 0.25 1 d P
O1W' O 0.3490(14) 0.277(3) 1.1412(11) 0.088(7) Uiso 0.25 1 d P
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'
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
O4 Cu1 N5 90.93(15) . 3_445
O4 Cu1 N4 92.64(14) . .
N5 Cu1 N4 173.11(17) 3_445 .
O4 Cu1 O6 172.34(14) . 6_565
N5 Cu1 O6 90.05(15) 3_445 6_565
N4 Cu1 O6 87.19(14) . 6_565
O4 Cu1 O4 76.38(12) . 7_567
N5 Cu1 O4 91.57(14) 3_445 7_567
N4 Cu1 O4 95.00(14) . 7_567
O6 Cu1 O4 95.99(12) 6_565 7_567
O4 Cu1 O7 131.58(13) . 6_565
N5 Cu1 O7 86.25(15) 3_445 6_565
N4 Cu1 O7 86.98(14) . 6_565
O6 Cu1 O7 56.08(13) 6_565 6_565
O4 Cu1 O7 151.93(11) 7_567 6_565
O1 C1 N3 121.7(9) . .
O1 C1 N1 122.2(7) . .
N3 C1 N1 116.0(6) . .
O2 C2 N2 122.0(6) . .
O2 C2 N1 120.7(7) . .
N2 C2 N1 117.1(7) . .
O3 C3 N3 122.9(8) . .
O3 C3 N2 122.6(6) . .
N3 C3 N2 114.5(7) . .
N1 C4 C5 111.4(5) . .
N1 C4 H4A 109.3 . .
C5 C4 H4A 109.3 . .
N1 C4 H4B 109.3 . .
C5 C4 H4B 109.3 . .
H4A C4 H4B 108.0 . .
C6 C5 C4 111.5(5) . .
C6 C5 H5A 109.3 . .
C4 C5 H5A 109.3 . .
C6 C5 H5B 109.3 . .
C4 C5 H5B 109.3 . .
H5A C5 H5B 108.0 . .
O5 C6 O4 122.6(5) . .
O5 C6 C5 120.5(5) . .
O4 C6 C5 116.9(5) . .
N2 C7 C8 110.4(5) . .
N2 C7 H7A 109.6 . .
C8 C7 H7A 109.6 . .
N2 C7 H7B 109.6 . .
C8 C7 H7B 109.6 . .
H7A C7 H7B 108.1 . .
C9 C8 C7 111.0(4) . .
C9 C8 H8B 109.4 . .
C7 C8 H8B 109.4 . .
C9 C8 H8C 109.4 . .
C7 C8 H8C 109.4 . .
H8B C8 H8C 108.0 . .
O7 C9 O6 121.9(5) . .
O7 C9 C8 120.4(5) . .
O6 C9 C8 117.7(5) . .
C11 C10 N3 113.6(7) . .
C11 C10 H10A 108.8 . .
N3 C10 H10A 108.8 . .
C11 C10 H10B 108.8 . .
N3 C10 H10B 108.8 . .
H10A C10 H10B 107.7 . .
C10 C11 C12 124.1(9) . .
C10 C11 H11A 106.3 . .
C12 C11 H11A 106.3 . .
C10 C11 H11B 106.3 . .
C12 C11 H11B 106.3 . .
H11A C11 H11B 106.4 . .
O9 C12 O8 121.1(11) . .
O9 C12 C11 127.1(10) . .
O8 C12 C11 111.8(9) . .
N4 C13 C14 123.0(4) . .
N4 C13 H13A 118.5 . .
C14 C13 H13A 118.5 . .
C13 C14 C15 119.4(5) . .
C13 C14 H14A 120.3 . .
C15 C14 H14A 120.3 . .
C14 C15 C16 117.4(4) . .
C14 C15 C20 121.1(4) . .
C16 C15 C20 121.5(4) . .
C17 C16 C15 119.8(5) . .
C17 C16 H16A 120.1 . .
C15 C16 H16A 120.1 . .
N4 C17 C16 122.3(5) . .
N4 C17 H17A 118.9 . .
C16 C17 H17A 118.9 . .
N5 C18 C19 122.7(5) . .
N5 C18 H18A 118.7 . .
C19 C18 H18A 118.7 . .
C18 C19 C20 119.9(5) . .
C18 C19 H19A 120.0 . .
C20 C19 H19A 120.0 . .
C19 C20 C21 116.9(4) . .
C19 C20 C15 121.5(4) . .
C21 C20 C15 121.6(4) . .
C22 C21 C20 119.5(5) . .
C22 C21 H21A 120.3 . .
C20 C21 H21A 120.3 . .
N5 C22 C21 122.5(5) . .
N5 C22 H22A 118.7 . .
C21 C22 H22A 118.7 . .
C2 N1 C1 122.6(6) . .
C2 N1 C4 117.8(7) . .
C1 N1 C4 118.9(6) . .
C2 N2 C3 124.3(6) . .
C2 N2 C7 117.3(6) . .
C3 N2 C7 117.5(5) . .
C1 N3 C3 124.6(7) . .
C1 N3 C10 118.2(6) . .
C3 N3 C10 116.5(7) . .
C13 N4 C17 118.1(4) . .
C13 N4 Cu1 121.0(3) . .
C17 N4 Cu1 120.7(3) . .
C22 N5 C18 118.3(4) . .
C22 N5 Cu1 122.5(3) . 3
C18 N5 Cu1 119.1(3) . 3
C6 O4 Cu1 112.8(3) . .
C9 O6 Cu1 102.5(3) . 6_566
C12 O8 H8A 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O4 1.993(3) .
Cu1 N5 1.996(4) 3_445
Cu1 N4 1.997(4) .
Cu1 O6 2.025(4) 6_565
Cu1 O4 2.512(3) 7_567
Cu1 O7 2.551(4) 6_565
C1 O1 1.214(8) .
C1 N3 1.376(10) .
C1 N1 1.402(11) .
C2 O2 1.212(9) .
C2 N2 1.359(9) .
C2 N1 1.375(8) .
C3 O3 1.194(9) .
C3 N3 1.389(8) .
C3 N2 1.403(11) .
C4 N1 1.478(9) .
C4 C5 1.523(8) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.518(8) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 O5 1.230(7) .
C6 O4 1.286(6) .
C7 N2 1.495(7) .
C7 C8 1.519(8) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.507(7) .
C8 H8B 0.9900 .
C8 H8C 0.9900 .
C9 O7 1.231(6) .
C9 O6 1.286(6) .
C10 C11 1.530(15) .
C10 N3 1.530(12) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.531(15) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 O9 1.196(11) .
C12 O8 1.278(11) .
C13 N4 1.336(6) .
C13 C14 1.380(7) .
C13 H13A 0.9500 .
C14 C15 1.390(7) .
C14 H14A 0.9500 .
C15 C16 1.398(7) .
C15 C20 1.490(6) .
C16 C17 1.374(7) .
C16 H16A 0.9500 .
C17 N4 1.349(7) .
C17 H17A 0.9500 .
C18 N5 1.338(6) .
C18 C19 1.377(7) .
C18 H18A 0.9500 .
C19 C20 1.387(7) .
C19 H19A 0.9500 .
C20 C21 1.400(7) .
C21 C22 1.387(7) .
C21 H21A 0.9500 .
C22 N5 1.327(7) .
C22 H22A 0.9500 .
N5 Cu1 1.996(4) 3
O6 Cu1 2.025(4) 6_566
O8 H8A 0.8400 .
O1W O1W' 1.35(3) .
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
O8 H8A O6 0.84 1.97 2.754(7) 155.5 1_565
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
N1 C4 C5 C6 174.8(5) . .
C4 C5 C6 O5 49.8(7) . .
C4 C5 C6 O4 -129.0(6) . .
N2 C7 C8 C9 -166.2(5) . .
C7 C8 C9 O7 50.5(7) . .
C7 C8 C9 O6 -130.0(5) . .
N3 C10 C11 C12 160.4(9) . .
C10 C11 C12 O9 149.0(13) . .
C10 C11 C12 O8 -34.2(16) . .
N4 C13 C14 C15 0.1(8) . .
C13 C14 C15 C16 -0.1(7) . .
C13 C14 C15 C20 -178.4(4) . .
C14 C15 C16 C17 0.0(8) . .
C20 C15 C16 C17 178.2(5) . .
C15 C16 C17 N4 0.3(9) . .
N5 C18 C19 C20 0.2(8) . .
C18 C19 C20 C21 -3.2(8) . .
C18 C19 C20 C15 175.1(5) . .
C14 C15 C20 C19 -21.2(7) . .
C16 C15 C20 C19 160.6(5) . .
C14 C15 C20 C21 157.0(5) . .
C16 C15 C20 C21 -21.2(8) . .
C19 C20 C21 C22 2.7(8) . .
C15 C20 C21 C22 -175.6(5) . .
C20 C21 C22 N5 0.7(9) . .
O2 C2 N1 C1 174.7(7) . .
N2 C2 N1 C1 -9.6(9) . .
O2 C2 N1 C4 4.3(9) . .
N2 C2 N1 C4 179.9(5) . .
O1 C1 N1 C2 -175.2(7) . .
N3 C1 N1 C2 6.7(10) . .
O1 C1 N1 C4 -4.9(11) . .
N3 C1 N1 C4 177.0(6) . .
C5 C4 N1 C2 86.9(8) . .
C5 C4 N1 C1 -83.9(8) . .
O2 C2 N2 C3 -174.3(7) . .
N1 C2 N2 C3 10.1(10) . .
O2 C2 N2 C7 -5.5(9) . .
N1 C2 N2 C7 178.9(5) . .
O3 C3 N2 C2 175.1(7) . .
N3 C3 N2 C2 -7.4(10) . .
O3 C3 N2 C7 6.4(11) . .
N3 C3 N2 C7 -176.1(6) . .
C8 C7 N2 C2 -78.7(7) . .
C8 C7 N2 C3 90.8(7) . .
O1 C1 N3 C3 177.9(8) . .
N1 C1 N3 C3 -4.0(11) . .
O1 C1 N3 C10 8.0(12) . .
N1 C1 N3 C10 -173.9(7) . .
O3 C3 N3 C1 -178.3(8) . .
N2 C3 N3 C1 4.2(11) . .
O3 C3 N3 C10 -8.2(12) . .
N2 C3 N3 C10 174.3(7) . .
C11 C10 N3 C1 80.4(10) . .
C11 C10 N3 C3 -90.3(8) . .
C14 C13 N4 C17 0.2(7) . .
C14 C13 N4 Cu1 -174.5(4) . .
C16 C17 N4 C13 -0.4(8) . .
C16 C17 N4 Cu1 174.3(4) . .
O4 Cu1 N4 C13 -101.4(4) . .
N5 Cu1 N4 C13 137.5(13) 3_445 .
O6 Cu1 N4 C13 71.0(4) 6_565 .
O4 Cu1 N4 C13 -24.8(4) 7_567 .
O7 Cu1 N4 C13 127.1(4) 6_565 .
O4 Cu1 N4 C17 84.1(4) . .
N5 Cu1 N4 C17 -37.0(15) 3_445 .
O6 Cu1 N4 C17 -103.6(4) 6_565 .
O4 Cu1 N4 C17 160.7(4) 7_567 .
O7 Cu1 N4 C17 -47.4(4) 6_565 .
C21 C22 N5 C18 -3.7(8) . .
C21 C22 N5 Cu1 173.7(4) . 3
C19 C18 N5 C22 3.2(8) . .
C19 C18 N5 Cu1 -174.3(4) . 3
O5 C6 O4 Cu1 -3.7(6) . .
C5 C6 O4 Cu1 175.1(3) . .
N5 Cu1 O4 C6 94.8(3) 3_445 .
N4 Cu1 O4 C6 -79.3(3) . .
O6 Cu1 O4 C6 -167.9(9) 6_565 .
O4 Cu1 O4 C6 -173.8(4) 7_567 .
O7 Cu1 O4 C6 9.0(4) 6_565 .
O7 C9 O6 Cu1 0.3(5) . 6_566
C8 C9 O6 Cu1 -179.2(4) . 6_566
