#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:28:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180395 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/64/7206412.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_7206412
loop_
_publ_author_name
'Yang, En-Cui'
'Liu, Zhong-Yi'
'Zhao, Li-Na'
'Yang, You-Li'
'Zhang, Cui-Hua'
'Zhao, Xiao-Jun'
_publ_section_title
;
 Ligand-deprotonation induced structural diversity in a ternary
 CuII-triazole-tetracarboxylate self-assembly system: Synthesis,
 crystal structures, and magnetic behavior
;
_journal_issue                   17
_journal_name_full               CrystEngComm
_journal_page_first              5401
_journal_paper_doi               10.1039/c1ce05396e
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C18 H28 Cl2 Cu3 N16 O21'
_chemical_formula_weight         1066.08
_chemical_name_systematic
;
?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 91.2320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.2308(3)
_cell_length_b                   18.9146(6)
_cell_length_c                   11.7353(4)
_cell_measurement_reflns_used    7858
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.86
_cell_measurement_theta_min      2.70
_cell_volume                     1826.56(11)
_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      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  '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  0.0170
_diffrn_reflns_av_sigmaI/netI    0.0184
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9391
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    1.984
_exptl_absorpt_correction_T_max  0.9073
_exptl_absorpt_correction_T_min  0.6694
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.938
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1074
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.617
_refine_diff_density_min         -1.115
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         3321
_refine_ls_number_restraints     64
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0470
_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)+(0.0839P)²+5.9854P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1375
_refine_ls_wR_factor_ref         0.1408
_reflns_number_gt                3062
_reflns_number_total             3321
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05396e.txt
_cod_data_source_block           90820c
_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 2.4.1 from 2010-06-29.

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      P2(1)/m
_cod_database_code               7206412
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.75509(9) 0.2500 0.74279(6) 0.0244(2) Uani 1 2 d S . .
Cu2 Cu 0.95660(6) 0.16219(2) 0.53559(4) 0.02349(19) Uani 1 1 d . . .
O1 O 1.1038(3) 0.08413(14) 0.5011(2) 0.0247(6) Uani 1 1 d . A .
O2 O 1.2617(4) 0.14943(16) 0.6143(3) 0.0346(7) Uani 1 1 d . A .
O3 O 1.4351(4) 0.18352(15) 0.4018(3) 0.0325(7) Uani 1 1 d . . .
H3' H 1.4577 0.2254 0.4107 0.049 Uiso 0.50 1 calc PR . .
O4 O 1.7002(3) 0.16523(14) 0.4280(3) 0.0278(7) Uani 1 1 d . . .
O5 O 0.5013(5) 0.2500 0.6627(4) 0.0387(11) Uani 1 2 d S A .
H5' H 0.4442 0.2853 0.6418 0.058 Uiso 1 1 d R . .
N1 N 0.8597(4) 0.11012(19) 0.6612(3) 0.0252(7) Uani 1 1 d . A .
N2 N 0.7608(4) 0.14282(19) 0.7384(3) 0.0289(8) Uani 1 1 d . A .
N3 N 0.7492(5) 0.0297(2) 0.7640(3) 0.0314(8) Uani 1 1 d . A .
N4 N 0.7144(6) -0.0391(2) 0.8038(4) 0.0457(11) Uani 1 1 d . . .
H4" H 0.7640 -0.0412 0.8729 0.055 Uiso 1 1 d R . .
H4' H 0.6054 -0.0418 0.8074 0.055 Uiso 1 1 d R . .
N5 N 0.6983(5) 0.2522(6) 0.9005(3) 0.0316(12) Uani 1 2 d SGU A -1
N6 N 0.5496(5) 0.2800(5) 0.9402(4) 0.061(3) Uani 0.50 1 d PG A -1
C3 C 0.5587(6) 0.2816(6) 1.0612(4) 0.063(4) Uani 0.50 1 d PGD A -1
H3 H 0.4778 0.2975 1.1090 0.075 Uiso 0.50 1 calc PR A -1
N7 N 0.7130(6) 0.2548(6) 1.0962(3) 0.036(2) Uani 0.50 1 d PGD A -1
C4 C 0.7993(5) 0.2366(4) 0.9969(4) 0.028(3) Uani 0.50 1 d PGD A -1
H4 H 0.9036 0.2178 0.9953 0.033 Uiso 0.50 1 calc PR A -1
N8 N 0.7731(8) 0.2533(14) 1.2047(5) 0.049(2) Uani 0.50 1 d PD A -1
H8' H 0.7342 0.2906 1.2430 0.059 Uiso 1 1 d R A -1
N9 N 1.0415(4) 0.21384(18) 0.4055(3) 0.0224(7) Uani 1 1 d . . .
N10 N 1.1441(6) 0.2500 0.2485(5) 0.0317(12) Uani 1 2 d S . .
N11 N 1.2189(9) 0.2500 0.1422(6) 0.0562(19) Uani 1 2 d S . .
H11' H 1.1899 0.2858 0.0955 0.067 Uiso 1 1 d R . .
C1 C 0.6959(6) 0.0934(2) 0.7990(4) 0.0363(11) Uani 1 1 d . . .
H1 H 0.6236 0.1007 0.8577 0.044 Uiso 1 1 calc R A .
C2 C 0.8507(5) 0.0421(2) 0.6785(4) 0.0276(9) Uani 1 1 d . . .
H2 H 0.9059 0.0078 0.6379 0.033 Uiso 1 1 calc R A .
C5 C 1.1045(5) 0.1929(2) 0.3099(4) 0.0292(9) Uani 1 1 d . . .
H5 H 1.1194 0.1461 0.2880 0.035 Uiso 1 1 calc R A .
C6 C 1.3780(4) 0.0499(2) 0.5197(3) 0.0212(8) Uani 1 1 d . A .
C7 C 1.5222(4) 0.0707(2) 0.4678(3) 0.0201(8) Uani 1 1 d . . .
C8 C 1.3588(5) -0.0205(2) 0.5499(3) 0.0218(8) Uani 1 1 d . . .
H8 H 1.2624 -0.0345 0.5833 0.026 Uiso 1 1 calc R . .
C9 C 1.2410(5) 0.0997(2) 0.5476(4) 0.0230(8) Uani 1 1 d . . .
C10 C 1.5576(5) 0.1455(2) 0.4307(3) 0.0207(8) Uani 1 1 d . . .
Cl1 Cl 0.7465(18) 0.0343(8) 0.1249(13) 0.0612(8) Uani 0.319(10) 1 d PD B 1
O7 O 0.661(3) 0.0871(9) 0.1892(17) 0.122(4) Uani 0.319(10) 1 d PD B 1
O8 O 0.821(3) 0.0669(13) 0.0294(15) 0.134(5) Uani 0.319(10) 1 d PD B 1
O9 O 0.6305(19) -0.0180(10) 0.085(2) 0.153(6) Uani 0.319(10) 1 d PD B 1
O10 O 0.866(2) 0.0010(13) 0.1965(17) 0.116(4) Uani 0.319(10) 1 d PD B 1
Cl1' Cl 0.7557(8) 0.0413(3) 0.1413(5) 0.0612(8) Uani 0.681(10) 1 d PD B 2
O7' O 0.6809(13) -0.0256(4) 0.1724(8) 0.122(4) Uani 0.681(10) 1 d PD B 2
O8' O 0.8064(14) 0.0366(6) 0.0276(6) 0.134(5) Uani 0.681(10) 1 d PD B 2
O9' O 0.6320(10) 0.0948(5) 0.1496(12) 0.153(6) Uani 0.681(10) 1 d PD B 2
O10' O 0.8844(9) 0.0558(6) 0.2167(7) 0.116(4) Uani 0.681(10) 1 d PD B 2
O11 O 0.8482(4) 0.2500 0.5887(3) 0.0192(8) Uani 1 2 d S . .
H11 H 0.7632 0.2500 0.5463 0.029 Uiso 1 2 d SR . .
O12 O 0.1008(11) 0.1294(5) 0.0106(8) 0.062(2) Uani 0.50 1 d PU C 1
O12' O 0.266(2) 0.1720(9) 0.8517(14) 0.124(5) Uani 0.50 1 d PU D 2
O6 O 1.0535(13) 0.2500 0.7938(9) 0.132(4) Uani 1 2 d SU A .
H6 H 1.0949 0.2910 0.8006 0.198 Uiso 1 1 d R . .
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'
O O 0.0106 0.0060 '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'
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
N5 Cu1 O11 171.23(19) . .
N5 Cu1 N2 93.0(4) . .
O11 Cu1 N2 88.10(10) . .
N5 Cu1 N2 90.6(4) . 4_565
O11 Cu1 N2 88.11(10) . 4_565
N2 Cu1 N2 176.0(2) . 4_565
N5 Cu1 O5 99.10(19) . .
O11 Cu1 O5 89.59(17) . .
N2 Cu1 O5 90.63(11) . .
N2 Cu1 O5 90.63(11) 4_565 .
N5 Cu1 O6 91.5(3) . .
O11 Cu1 O6 79.8(3) . .
N2 Cu1 O6 89.03(11) . .
N2 Cu1 O6 89.03(11) 4_565 .
O5 Cu1 O6 169.3(3) . .
N9 Cu2 N1 176.74(14) . .
N9 Cu2 O1 89.00(13) . .
N1 Cu2 O1 92.29(13) . .
N9 Cu2 O11 89.85(13) . .
N1 Cu2 O11 89.52(14) . .
O1 Cu2 O11 167.68(13) . .
N9 Cu2 O4 84.47(12) . 1_455
N1 Cu2 O4 92.28(12) . 1_455
O1 Cu2 O4 116.34(11) . 1_455
O11 Cu2 O4 75.73(13) . 1_455
C9 O1 Cu2 106.5(2) . .
C10 O3 H3' 109.5 . .
C10 O4 Cu2 142.6(3) . 1_655
Cu1 O5 H5' 128.1 . .
C2 N1 N2 107.7(3) . .
C2 N1 Cu2 129.7(3) . .
N2 N1 Cu2 121.7(3) . .
C1 N2 N1 107.0(4) . .
C1 N2 Cu1 134.1(3) . .
N1 N2 Cu1 118.7(3) . .
C2 N3 C1 106.5(4) . .
C2 N3 N4 122.9(4) . .
C1 N3 N4 130.6(4) . .
N3 N4 H4" 104.3 . .
N3 N4 H4' 106.1 . .
H4" N4 H4' 112.8 . .
N6 N5 C4 108.0 . .
N6 N5 Cu1 123.6(3) . .
C4 N5 Cu1 127.9(3) . .
C3 N6 N5 108.0 . .
N6 C3 N7 108.0 . .
N6 C3 H3 126.0 . .
N7 C3 H3 126.0 . .
N8 N7 C4 125.86(8) . .
N8 N7 C3 125.86(9) . .
C4 N7 C3 108.0 . .
N7 C4 N5 108.0 . .
N7 C4 H4 126.0 . .
N5 C4 H4 126.0 . .
N7 N8 H8' 109.0 . .
C5 N9 N9 107.6(2) . 4_565
C5 N9 Cu2 132.4(3) . .
N9 N9 Cu2 120.00(10) 4_565 .
C5 N10 C5 107.1(5) . 4_565
C5 N10 N11 126.4(3) . .
C5 N10 N11 126.4(3) 4_565 .
N10 N11 H11' 115.2 . .
N2 C1 N3 109.6(4) . .
N2 C1 H1 125.2 . .
N3 C1 H1 125.2 . .
N1 C2 N3 109.2(4) . .
N1 C2 H2 125.4 . .
N3 C2 H2 125.4 . .
N9 C5 N10 108.8(4) . .
N9 C5 H5 125.6 . .
N10 C5 H5 125.6 . .
C8 C6 C7 118.8(4) . .
C8 C6 C9 116.9(3) . .
C7 C6 C9 124.3(4) . .
C8 C7 C6 118.8(4) 3_856 .
C8 C7 C10 117.3(3) 3_856 .
C6 C7 C10 123.9(3) . .
C7 C8 C6 122.3(4) 3_856 .
C7 C8 H8 118.8 3_856 .
C6 C8 H8 118.8 . .
O2 C9 O1 123.7(4) . .
O2 C9 C6 121.3(4) . .
O1 C9 C6 115.0(3) . .
O4 C10 O3 124.7(4) . .
O4 C10 C7 118.7(3) . .
O3 C10 C7 116.6(3) . .
O10 Cl1 O8 110.5(6) . .
O10 Cl1 O7 109.6(6) . .
O8 Cl1 O7 109.5(6) . .
O10 Cl1 O9 109.4(6) . .
O8 Cl1 O9 109.3(6) . .
O7 Cl1 O9 108.5(6) . .
O10' Cl1' O8' 112.2(4) . .
O10' Cl1' O9' 110.3(4) . .
O8' Cl1' O9' 109.4(4) . .
O10' Cl1' O7' 109.4(4) . .
O8' Cl1' O7' 108.5(4) . .
O9' Cl1' O7' 106.9(4) . .
Cu1 O11 Cu2 118.07(11) . .
Cu1 O11 Cu2 118.07(11) . 4_565
Cu2 O11 Cu2 113.02(17) . 4_565
Cu1 O11 H11 101.8 . .
Cu2 O11 H11 100.7 . .
Cu2 O11 H11 100.7 4_565 .
Cu1 O6 H6 114.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N5 1.919(3) .
Cu1 O11 1.979(4) .
Cu1 N2 2.028(4) .
Cu1 N2 2.028(4) 4_565
Cu1 O5 2.272(4) .
Cu1 O6 2.516(11) .
Cu2 N9 1.954(3) .
Cu2 N1 1.957(3) .
Cu2 O1 1.957(3) .
Cu2 O11 1.992(2) .
Cu2 O4 2.436(3) 1_455
O1 C9 1.278(5) .
O2 C9 1.234(5) .
O3 C10 1.279(5) .
O3 H3' 0.8200 .
O4 C10 1.233(5) .
O4 Cu2 2.436(3) 1_655
O5 H5' 0.8500 .
N1 C2 1.304(6) .
N1 N2 1.378(5) .
N2 C1 1.297(6) .
N3 C2 1.340(6) .
N3 C1 1.349(6) .
N3 N4 1.414(5) .
N4 H4" 0.9010 .
N4 H4' 0.9005 .
N5 N6 1.4200 .
N5 C4 1.4200 .
N6 C3 1.4200 .
C3 N7 1.4200 .
C3 H3 0.9300 .
N7 N8 1.356(6) .
N7 C4 1.4200 .
C4 H4 0.9300 .
N8 H8' 0.9000 .
N9 C5 1.308(6) .
N9 N9 1.368(7) 4_565
N10 C5 1.342(5) .
N10 C5 1.342(5) 4_565
N10 N11 1.403(8) .
N11 H11' 0.9004 .
C1 H1 0.9300 .
C2 H2 0.9300 .
C5 H5 0.9300 .
C6 C8 1.389(5) .
C6 C7 1.402(5) .
C6 C9 1.510(5) .
C7 C8 1.383(5) 3_856
C7 C10 1.510(5) .
C8 C7 1.383(5) 3_856
C8 H8 0.9300 .
Cl1 O10 1.427(10) .
Cl1 O8 1.429(10) .
Cl1 O7 1.443(10) .
Cl1 O9 1.448(10) .
Cl1' O10' 1.393(7) .
Cl1' O8' 1.409(7) .
Cl1' O9' 1.439(7) .
Cl1' O7' 1.456(7) .
O11 Cu2 1.992(2) 4_565
O11 H11 0.8500 .
O6 H6 0.8502 .
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
N9 Cu2 O1 C9 83.8(3) . .
N1 Cu2 O1 C9 -99.2(3) . .
O11 Cu2 O1 C9 -0.9(7) . .
O4 Cu2 O1 C9 167.1(2) 1_455 .
N9 Cu2 N1 C2 89(2) . .
O1 Cu2 N1 C2 -24.5(4) . .
O11 Cu2 N1 C2 167.7(4) . .
O4 Cu2 N1 C2 92.0(4) 1_455 .
N9 Cu2 N1 N2 -79(3) . .
O1 Cu2 N1 N2 167.7(3) . .
O11 Cu2 N1 N2 -0.1(3) . .
O4 Cu2 N1 N2 -75.8(3) 1_455 .
C2 N1 N2 C1 -0.1(5) . .
Cu2 N1 N2 C1 170.1(3) . .
C2 N1 N2 Cu1 176.3(3) . .
Cu2 N1 N2 Cu1 -13.5(4) . .
N5 Cu1 N2 C1 22.6(5) . .
O11 Cu1 N2 C1 -166.2(5) . .
N2 Cu1 N2 C1 175(3) 4_565 .
O5 Cu1 N2 C1 -76.6(5) . .
O6 Cu1 N2 C1 114.1(5) . .
N5 Cu1 N2 N1 -152.6(3) . .
O11 Cu1 N2 N1 18.6(3) . .
N2 Cu1 N2 N1 0(3) 4_565 .
O5 Cu1 N2 N1 108.2(3) . .
O6 Cu1 N2 N1 -61.1(4) . .
O11 Cu1 N5 N6 146.5(19) . .
N2 Cu1 N5 N6 -116.5(6) . .
N2 Cu1 N5 N6 65.4(6) 4_565 .
O5 Cu1 N5 N6 -25.3(6) . .
O6 Cu1 N5 N6 154.4(5) . .
O11 Cu1 N5 C4 -24(3) . .
N2 Cu1 N5 C4 72.9(8) . .
N2 Cu1 N5 C4 -105.3(8) 4_565 .
O5 Cu1 N5 C4 164.0(7) . .
O6 Cu1 N5 C4 -16.2(8) . .
C4 N5 N6 C3 0.0 . .
Cu1 N5 N6 C3 -172.3(9) . .
N5 N6 C3 N7 0.0 . .
N6 C3 N7 N8 174.2(15) . .
N6 C3 N7 C4 0.0 . .
N8 N7 C4 N5 -174.2(15) . .
C3 N7 C4 N5 0.0 . .
N6 N5 C4 N7 0.0 . .
Cu1 N5 C4 N7 171.8(10) . .
N1 Cu2 N9 C5 -85(3) . .
O1 Cu2 N9 C5 27.9(4) . .
O11 Cu2 N9 C5 -164.3(4) . .
O4 Cu2 N9 C5 -88.7(4) 1_455 .
N1 Cu2 N9 N9 95(2) . 4_565
O1 Cu2 N9 N9 -151.78(10) . 4_565
O11 Cu2 N9 N9 15.96(12) . 4_565
O4 Cu2 N9 N9 91.63(9) 1_455 4_565
N1 N2 C1 N3 0.0(5) . .
Cu1 N2 C1 N3 -175.6(3) . .
C2 N3 C1 N2 0.0(6) . .
N4 N3 C1 N2 179.5(5) . .
N2 N1 C2 N3 0.1(5) . .
Cu2 N1 C2 N3 -169.0(3) . .
C1 N3 C2 N1 -0.1(5) . .
N4 N3 C2 N1 -179.6(4) . .
N9 N9 C5 N10 -0.3(4) 4_565 .
Cu2 N9 C5 N10 180.0(3) . .
C5 N10 C5 N9 0.4(7) 4_565 .
N11 N10 C5 N9 178.1(6) . .
C8 C6 C7 C8 -0.9(6) . 3_856
C9 C6 C7 C8 177.9(4) . 3_856
C8 C6 C7 C10 179.8(4) . .
C9 C6 C7 C10 -1.4(6) . .
C7 C6 C8 C7 1.0(7) . 3_856
C9 C6 C8 C7 -177.9(4) . 3_856
Cu2 O1 C9 O2 9.7(5) . .
Cu2 O1 C9 C6 -173.3(3) . .
C8 C6 C9 O2 117.3(4) . .
C7 C6 C9 O2 -61.5(6) . .
C8 C6 C9 O1 -59.8(5) . .
C7 C6 C9 O1 121.4(4) . .
Cu2 O4 C10 O3 137.5(4) 1_655 .
Cu2 O4 C10 C7 -44.0(6) 1_655 .
C8 C7 C10 O4 -27.1(5) 3_856 .
C6 C7 C10 O4 152.2(4) . .
C8 C7 C10 O3 151.5(4) 3_856 .
C6 C7 C10 O3 -29.3(6) . .
N5 Cu1 O11 Cu2 79(2) . .
N2 Cu1 O11 Cu2 -18.4(2) . .
N2 Cu1 O11 Cu2 160.3(2) 4_565 .
O5 Cu1 O11 Cu2 -109.05(16) . .
O6 Cu1 O11 Cu2 70.95(16) . .
N5 Cu1 O11 Cu2 -63(2) . 4_565
N2 Cu1 O11 Cu2 -160.3(2) . 4_565
N2 Cu1 O11 Cu2 18.4(2) 4_565 4_565
O5 Cu1 O11 Cu2 109.05(16) . 4_565
O6 Cu1 O11 Cu2 -70.95(16) . 4_565
N9 Cu2 O11 Cu1 -169.28(19) . .
N1 Cu2 O11 Cu1 13.92(19) . .
O1 Cu2 O11 Cu1 -84.7(6) . .
O4 Cu2 O11 Cu1 106.39(18) 1_455 .
N9 Cu2 O11 Cu2 -25.56(19) . 4_565
N1 Cu2 O11 Cu2 157.64(19) . 4_565
O1 Cu2 O11 Cu2 59.1(7) . 4_565
O4 Cu2 O11 Cu2 -109.89(19) 1_455 4_565
