#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:14:55 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180383 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/52/7205201.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_7205201
loop_
_publ_author_name
'Xu, Jiao'
'Yao, Xiao-Qiang'
'Huang, Liang-Fang'
'Li, Yi-Zhi'
'Zheng, He-Gen'
_publ_section_title
;
 Syntheses, structures, photoluminescence and magnetic properties of
 four new metal--organic frameworks based on imidazole ligands and
 aromatic polycarboxylate acids
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              857
_journal_paper_doi               10.1039/c0ce00219d
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C36 H30 Cu2 N12 O9'
_chemical_formula_weight         901.80
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 114.588(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.559(3)
_cell_length_b                   11.426(2)
_cell_length_c                   21.736(3)
_cell_measurement_temperature    291(2)
_cell_volume                     3965.4(12)
_computing_cell_refinement       'SMART (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0459
_diffrn_reflns_av_sigmaI/netI    0.0819
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            20933
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.142
_exptl_absorpt_correction_T_max  0.8036
_exptl_absorpt_correction_T_min  0.7553
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.267
_refine_diff_density_min         -0.656
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7785
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0966
_refine_ls_R_factor_gt           0.0586
_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)+(0.0724P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1319
_refine_ls_wR_factor_ref         0.1417
_reflns_number_gt                5312
_reflns_number_total             7785
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CE00219D.TXT
_cod_data_source_block           80603dm
_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_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        3965.4(11)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7205201
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C1 C 0.3352(3) 0.6024(4) 0.6495(2) 0.0397(10) Uani 1 1 d . . .
H1 H 0.3557 0.5671 0.6209 0.048 Uiso 1 1 calc R . .
C2 C 0.2543(3) 0.6077(4) 0.6382(2) 0.0417(11) Uani 1 1 d . . .
H2 H 0.2093 0.5763 0.6016 0.050 Uiso 1 1 calc R . .
C3 C 0.3306(3) 0.7000(4) 0.7346(2) 0.0365(10) Uani 1 1 d . . .
H3 H 0.3455 0.7435 0.7740 0.044 Uiso 1 1 calc R . .
C4 C 0.1781(2) 0.6888(3) 0.7051(2) 0.0298(9) Uani 1 1 d . . .
C5 C 0.1083(3) 0.6185(4) 0.6710(2) 0.0347(9) Uani 1 1 d . . .
H5 H 0.1075 0.5650 0.6385 0.042 Uiso 1 1 calc R . .
C6 C 0.0394(3) 0.6309(4) 0.6871(2) 0.0359(10) Uani 1 1 d . . .
H6 H -0.0079 0.5852 0.6646 0.043 Uiso 1 1 calc R . .
C7 C 0.0400(3) 0.7096(4) 0.7358(2) 0.0333(9) Uani 1 1 d . . .
C8 C 0.1098(3) 0.7813(4) 0.7672(2) 0.0417(11) Uani 1 1 d . . .
H8 H 0.1103 0.8361 0.7990 0.050 Uiso 1 1 calc R . .
C9 C 0.1789(3) 0.7718(4) 0.7515(2) 0.0380(10) Uani 1 1 d . . .
H9 H 0.2250 0.8208 0.7720 0.046 Uiso 1 1 calc R . .
C10 C -0.1056(3) 0.6516(4) 0.7180(3) 0.0426(11) Uani 1 1 d . . .
H10 H -0.1087 0.6073 0.6811 0.051 Uiso 1 1 calc R . .
C11 C -0.1736(3) 0.6518(4) 0.7363(3) 0.0414(11) Uani 1 1 d . . .
H11 H -0.2212 0.6076 0.7120 0.050 Uiso 1 1 calc R . .
C12 C -0.1688(3) 0.7177(3) 0.7903(2) 0.0339(10) Uani 1 1 d . . .
C13 C -0.0976(3) 0.7814(4) 0.8278(3) 0.0428(11) Uani 1 1 d . . .
H13 H -0.0947 0.8246 0.8650 0.051 Uiso 1 1 calc R . .
C14 C -0.0305(3) 0.7806(4) 0.8100(2) 0.0402(10) Uani 1 1 d . . .
H14 H 0.0175 0.8233 0.8354 0.048 Uiso 1 1 calc R . .
C15 C -0.3154(3) 0.6774(4) 0.7707(3) 0.0391(10) Uani 1 1 d . . .
H15 H -0.3291 0.6346 0.7311 0.047 Uiso 1 1 calc R . .
C16 C -0.3229(3) 0.7650(4) 0.8569(2) 0.0379(10) Uani 1 1 d . . .
H16 H -0.3432 0.7931 0.8873 0.045 Uiso 1 1 calc R . .
C17 C -0.2436(3) 0.7778(4) 0.8623(2) 0.0388(10) Uani 1 1 d . . .
H17 H -0.2002 0.8172 0.8965 0.047 Uiso 1 1 calc R . .
C18 C 0.3185(3) 0.3888(4) 0.9208(3) 0.0421(11) Uani 1 1 d . . .
H18 H 0.3338 0.3594 0.9643 0.050 Uiso 1 1 calc R . .
C19 C 0.3247(3) 0.4507(4) 0.8289(2) 0.0389(10) Uani 1 1 d . . .
H19 H 0.3452 0.4722 0.7974 0.047 Uiso 1 1 calc R . .
C20 C 0.2421(3) 0.4519(4) 0.8179(3) 0.0426(11) Uani 1 1 d . . .
H20 H 0.1969 0.4747 0.7786 0.051 Uiso 1 1 calc R . .
C21 C 0.1669(3) 0.4043(4) 0.8914(2) 0.0350(10) Uani 1 1 d . . .
C22 C 0.1651(3) 0.3200(4) 0.9354(2) 0.0333(9) Uani 1 1 d . . .
H22 H 0.2090 0.2674 0.9549 0.040 Uiso 1 1 calc R . .
C23 C 0.0941(3) 0.3156(4) 0.9503(2) 0.0406(11) Uani 1 1 d . . .
H23 H 0.0923 0.2602 0.9810 0.049 Uiso 1 1 calc R . .
C24 C 0.0274(3) 0.3909(4) 0.9207(2) 0.0335(9) Uani 1 1 d . . .
C25 C 0.0326(3) 0.4712(4) 0.8745(3) 0.0472(12) Uani 1 1 d . . .
H25 H -0.0126 0.5208 0.8524 0.057 Uiso 1 1 calc R . .
C26 C 0.1010(3) 0.4805(4) 0.8602(2) 0.0392(10) Uani 1 1 d . . .
H26 H 0.1032 0.5369 0.8301 0.047 Uiso 1 1 calc R . .
C27 C -0.0524(3) 0.2963(3) 0.9791(2) 0.0291(9) Uani 1 1 d . . .
H27 H -0.0091 0.2423 0.9975 0.035 Uiso 1 1 calc R . .
C29 C -0.1123(3) 0.4611(4) 0.9095(2) 0.0389(10) Uani 1 1 d . . .
H29 H -0.1097 0.5193 0.8805 0.047 Uiso 1 1 calc R . .
C34 C -0.3345(3) 0.3200(4) 1.0367(3) 0.0434(11) Uani 1 1 d . . .
H34 H -0.3522 0.2946 1.0693 0.052 Uiso 1 1 calc R . .
C35 C -0.2566(3) 0.3071(4) 1.0404(3) 0.0441(11) Uani 1 1 d . . .
H35 H -0.2118 0.2694 1.0743 0.053 Uiso 1 1 calc R . .
C33 C -0.3332(3) 0.4020(4) 0.9478(2) 0.0367(10) Uani 1 1 d . . .
H33 H -0.3494 0.4431 0.9074 0.044 Uiso 1 1 calc R . .
C32 C -0.1220(3) 0.2895(4) 0.9946(2) 0.0388(10) Uani 1 1 d . . .
H32 H -0.1253 0.2315 1.0235 0.047 Uiso 1 1 calc R . .
C31 C -0.1851(3) 0.3690(4) 0.9669(2) 0.0345(10) Uani 1 1 d . . .
C30 C -0.1822(3) 0.4551(4) 0.9243(2) 0.0326(9) Uani 1 1 d . . .
H30 H -0.2258 0.5086 0.9057 0.039 Uiso 1 1 calc R . .
Cu1 Cu 0.50813(3) 0.67511(4) 0.75536(3) 0.03172(15) Uani 1 1 d . . .
Cu2 Cu 0.49498(3) 0.39844(4) 0.94269(3) 0.03092(15) Uani 1 1 d . . .
N1 N 0.3841(2) 0.6574(3) 0.71043(18) 0.0334(8) Uani 1 1 d . . .
N2 N 0.2510(2) 0.6693(3) 0.69187(19) 0.0342(8) Uani 1 1 d . . .
C36 C -0.0341(2) 0.7161(4) 0.7539(2) 0.0309(9) Uani 1 1 d . . .
N4 N -0.2392(2) 0.7227(3) 0.80851(18) 0.0335(8) Uani 1 1 d . . .
N5 N -0.3683(2) 0.7033(3) 0.79869(18) 0.0332(8) Uani 1 1 d . . .
N6 N 0.3720(2) 0.4133(3) 0.89288(18) 0.0328(8) Uani 1 1 d . . .
N7 N 0.2397(2) 0.4127(3) 0.87694(19) 0.0335(8) Uani 1 1 d . . .
C28 C -0.0477(3) 0.3837(4) 0.9364(2) 0.0364(10) Uani 1 1 d . . .
N9 N -0.2564(2) 0.3605(3) 0.98414(19) 0.0357(8) Uani 1 1 d . . .
N10 N -0.3837(2) 0.3756(3) 0.97838(19) 0.0356(8) Uani 1 1 d . . .
N11 N 0.4970(2) 0.9238(3) 0.76406(19) 0.0364(9) Uani 1 1 d . . .
N12 N 0.5099(2) 0.6276(3) 0.90260(18) 0.0342(8) Uani 1 1 d . . .
N13 N 0.4867(2) 0.1875(3) 0.89312(19) 0.0380(9) Uani 1 1 d . . .
N14 N 0.7938(2) 0.0033(3) 0.0565(2) 0.0396(9) Uani 1 1 d . . .
O1 O 0.47490(18) 1.0199(2) 0.77948(16) 0.0367(7) Uani 1 1 d . . .
O2 O 0.48973(18) 0.8292(2) 0.78958(15) 0.0356(7) Uani 1 1 d . . .
O3 O 0.51091(17) 0.5803(2) 0.85215(14) 0.0309(6) Uani 1 1 d . . .
O4 O 0.50539(18) 0.5713(2) 0.95155(15) 0.0330(7) Uani 1 1 d . . .
O5 O 0.4837(2) 0.2257(3) 0.94606(16) 0.0406(7) Uani 1 1 d . . .
O6 O 0.49321(17) 0.2496(2) 0.84804(15) 0.0354(7) Uani 1 1 d . . .
O7 O 0.8606(6) 0.9602(8) 0.9907(6) 0.039(2) Uani 0.30 1 d P . .
H7D H 0.8899 0.9391 0.9698 0.047 Uiso 0.30 1 d PR . .
H7B H 0.8787 0.9271 1.0292 0.047 Uiso 0.30 1 d PR . .
O8 O 0.4007(5) 0.5168(7) 0.4688(4) 0.0405(19) Uani 0.40 1 d P . .
H8B H 0.4171 0.4463 0.4776 0.049 Uiso 0.40 1 d PR . .
H8D H 0.3755 0.5375 0.4930 0.049 Uiso 0.40 1 d PR . .
O9 O 0.0024(7) 0.4679(11) 0.5345(6) 0.055(3) Uani 0.30 1 d P . .
H9B H -0.0192 0.5353 0.5319 0.066 Uiso 0.30 1 d PR . .
H9D H 0.0463 0.4731 0.5273 0.066 Uiso 0.30 1 d PR . .
O10 O 0.8638(2) 0.0476(3) 0.07266(18) 0.0487(8) Uani 1 1 d . . .
O11 O 0.76956(18) 0.0522(3) 0.09645(15) 0.0366(7) Uani 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'
Cu Cu 0.3201 1.2651 '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'
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
_geom_angle_publ_flag
C2 C1 N1 110.0(4) . . ?
C2 C1 H1 125.0 . . ?
N1 C1 H1 125.0 . . ?
C1 C2 N2 106.4(4) . . ?
C1 C2 H2 126.8 . . ?
N2 C2 H2 126.8 . . ?
N1 C3 N2 109.1(4) . . ?
N1 C3 H3 125.5 . . ?
N2 C3 H3 125.5 . . ?
C9 C4 C5 121.7(4) . . ?
C9 C4 N2 120.8(4) . . ?
C5 C4 N2 117.5(4) . . ?
C4 C5 C6 117.9(4) . . ?
C4 C5 H5 121.0 . . ?
C6 C5 H5 121.0 . . ?
C7 C6 C5 121.7(4) . . ?
C7 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C6 C7 C8 118.7(4) . . ?
C6 C7 C36 119.9(4) . . ?
C8 C7 C36 121.5(4) . . ?
C7 C8 C9 120.8(4) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C4 C9 C8 119.1(4) . . ?
C4 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C36 C10 C11 121.2(4) . . ?
C36 C10 H10 119.4 . . ?
C11 C10 H10 119.4 . . ?
C12 C11 C10 119.1(4) . . ?
C12 C11 H11 120.5 . . ?
C10 C11 H11 120.5 . . ?
C11 C12 C13 121.0(4) . . ?
C11 C12 N4 120.1(4) . . ?
C13 C12 N4 118.9(4) . . ?
C12 C13 C14 119.8(4) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C13 C14 C36 120.7(4) . . ?
C13 C14 H14 119.7 . . ?
C36 C14 H14 119.7 . . ?
N5 C15 N4 109.8(4) . . ?
N5 C15 H15 125.1 . . ?
N4 C15 H15 125.1 . . ?
C17 C16 N5 108.4(4) . . ?
C17 C16 H16 125.8 . . ?
N5 C16 H16 125.8 . . ?
C16 C17 N4 107.4(4) . . ?
C16 C17 H17 126.3 . . ?
N4 C17 H17 126.3 . . ?
N7 C18 N6 110.1(4) . . ?
N7 C18 H18 124.9 . . ?
N6 C18 H18 124.9 . . ?
N6 C19 C20 109.5(4) . . ?
N6 C19 H19 125.2 . . ?
C20 C19 H19 125.2 . . ?
C19 C20 N7 106.0(4) . . ?
C19 C20 H20 127.0 . . ?
N7 C20 H20 127.0 . . ?
C22 C21 C26 122.0(4) . . ?
C22 C21 N7 118.8(4) . . ?
C26 C21 N7 119.3(4) . . ?
C21 C22 C23 117.7(4) . . ?
C21 C22 H22 121.1 . . ?
C23 C22 H22 121.1 . . ?
C24 C23 C22 122.0(4) . . ?
C24 C23 H23 119.0 . . ?
C22 C23 H23 119.0 . . ?
C23 C24 C25 116.7(4) . . ?
C23 C24 C28 121.2(4) . . ?
C25 C24 C28 122.1(4) . . ?
C26 C25 C24 123.0(4) . . ?
C26 C25 H25 118.5 . . ?
C24 C25 H25 118.5 . . ?
C25 C26 C21 118.5(4) . . ?
C25 C26 H26 120.8 . . ?
C21 C26 H26 120.8 . . ?
C28 C27 C32 120.1(4) . . ?
C28 C27 H27 119.9 . . ?
C32 C27 H27 119.9 . . ?
C28 C29 C30 121.6(4) . . ?
C28 C29 H29 119.2 . . ?
C30 C29 H29 119.2 . . ?
C35 C34 N10 110.1(4) . . ?
C35 C34 H34 125.0 . . ?
N10 C34 H34 125.0 . . ?
C34 C35 N9 106.1(4) . . ?
C34 C35 H35 126.9 . . ?
N9 C35 H35 126.9 . . ?
N9 C33 N10 109.8(4) . . ?
N9 C33 H33 125.1 . . ?
N10 C33 H33 125.1 . . ?
C31 C32 C27 119.1(4) . . ?
C31 C32 H32 120.5 . . ?
C27 C32 H32 120.5 . . ?
C32 C31 C30 121.9(4) . . ?
C32 C31 N9 118.0(4) . . ?
C30 C31 N9 120.2(4) . . ?
C31 C30 C29 118.5(4) . . ?
C31 C30 H30 120.8 . . ?
C29 C30 H30 120.8 . . ?
O2 Cu1 N1 87.64(13) . . ?
O2 Cu1 O1 179.29(11) . 2_646 ?
N1 Cu1 O1 91.66(13) . 2_646 ?
O2 Cu1 N5 89.69(13) . 1_655 ?
N1 Cu1 N5 176.46(14) . 1_655 ?
O1 Cu1 N5 91.02(13) 2_646 1_655 ?
O2 Cu1 O3 91.10(11) . . ?
N1 Cu1 O3 90.19(13) . . ?
O1 Cu1 O3 88.82(11) 2_646 . ?
N5 Cu1 O3 92.19(13) 1_655 . ?
O2 Cu1 O6 95.55(11) . 2_656 ?
N1 Cu1 O6 89.66(12) . 2_656 ?
O1 Cu1 O6 84.53(11) 2_646 2_656 ?
N5 Cu1 O6 88.27(12) 1_655 2_656 ?
O3 Cu1 O6 173.34(10) . 2_656 ?
N10 Cu2 N6 171.00(15) 1_655 . ?
N10 Cu2 O4 93.05(14) 1_655 . ?
N6 Cu2 O4 90.18(13) . . ?
N10 Cu2 O5 87.80(14) 1_655 . ?
N6 Cu2 O5 90.15(14) . . ?
O4 Cu2 O5 172.13(12) . . ?
N10 Cu2 O4 94.48(13) 1_655 3_667 ?
N6 Cu2 O4 94.41(12) . 3_667 ?
O4 Cu2 O4 78.13(11) . 3_667 ?
O5 Cu2 O4 94.00(11) . 3_667 ?
C3 N1 C1 106.2(4) . . ?
C3 N1 Cu1 124.8(3) . . ?
C1 N1 Cu1 128.9(3) . . ?
C3 N2 C2 108.2(4) . . ?
C3 N2 C4 124.6(4) . . ?
C2 N2 C4 126.9(4) . . ?
C10 C36 C14 118.2(4) . . ?
C10 C36 C7 120.3(4) . . ?
C14 C36 C7 121.3(4) . . ?
C15 N4 C17 107.8(4) . . ?
C15 N4 C12 124.2(4) . . ?
C17 N4 C12 127.9(4) . . ?
C15 N5 C16 106.6(4) . . ?
C15 N5 Cu1 124.9(3) . 1_455 ?
C16 N5 Cu1 128.0(3) . 1_455 ?
C18 N6 C19 106.4(4) . . ?
C18 N6 Cu2 122.9(3) . . ?
C19 N6 Cu2 130.6(3) . . ?
C18 N7 C20 107.8(4) . . ?
C18 N7 C21 125.2(4) . . ?
C20 N7 C21 126.9(4) . . ?
C29 C28 C27 118.9(4) . . ?
C29 C28 C24 121.4(4) . . ?
C27 C28 C24 119.7(4) . . ?
C33 N9 C35 108.1(4) . . ?
C33 N9 C31 126.2(4) . . ?
C35 N9 C31 125.7(4) . . ?
C33 N10 C34 105.7(4) . . ?
C33 N10 Cu2 127.4(3) . 1_455 ?
C34 N10 Cu2 126.7(3) . 1_455 ?
O2 N11 O1 122.7(3) . . ?
O3 N12 O4 123.6(3) . . ?
O5 N13 O6 125.0(4) . . ?
O10 N14 O11 101.9(4) . . ?
N11 O1 Cu1 124.3(2) . 2_656 ?
N11 O2 Cu1 122.6(2) . . ?
N12 O3 Cu1 126.5(2) . . ?
N12 O4 Cu2 117.2(2) . . ?
N12 O4 Cu2 141.0(2) . 3_667 ?
Cu2 O4 Cu2 101.87(11) . 3_667 ?
N13 O5 Cu2 105.6(2) . . ?
N13 O6 Cu1 124.3(2) . 2_646 ?
H7D O7 H7B 109.8 . . ?
H8B O8 H8D 109.8 . . ?
O9 O9 H9B 71.5 3_566 . ?
O9 O9 H9D 60.4 3_566 . ?
H9B O9 H9D 109.8 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C2 1.338(6) . ?
C1 N1 1.392(6) . ?
C1 H1 0.9300 . ?
C2 N2 1.384(6) . ?
C2 H2 0.9300 . ?
C3 N1 1.344(5) . ?
C3 N2 1.364(5) . ?
C3 H3 0.9300 . ?
C4 C9 1.379(6) . ?
C4 C5 1.393(6) . ?
C4 N2 1.441(5) . ?
C5 C6 1.400(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.386(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.394(6) . ?
C7 C36 1.509(6) . ?
C8 C9 1.395(6) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C36 1.383(6) . ?
C10 C11 1.407(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.367(6) . ?
C11 H11 0.9300 . ?
C12 C13 1.381(6) . ?
C12 N4 1.448(5) . ?
C13 C14 1.386(6) . ?
C13 H13 0.9300 . ?
C14 C36 1.404(6) . ?
C14 H14 0.9300 . ?
C15 N5 1.338(5) . ?
C15 N4 1.349(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.356(6) . ?
C16 N5 1.376(5) . ?
C16 H16 0.9300 . ?
C17 N4 1.358(5) . ?
C17 H17 0.9300 . ?
C18 N7 1.342(6) . ?
C18 N6 1.345(5) . ?
C18 H18 0.9300 . ?
C19 N6 1.359(6) . ?
C19 C20 1.367(6) . ?
C19 H19 0.9300 . ?
C20 N7 1.376(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.367(6) . ?
C21 C26 1.380(6) . ?
C21 N7 1.441(5) . ?
C22 C23 1.413(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.379(6) . ?
C23 H23 0.9300 . ?
C24 C25 1.390(6) . ?
C24 C28 1.495(6) . ?
C25 C26 1.364(6) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 C28 1.389(6) . ?
C27 C32 1.399(5) . ?
C27 H27 0.9300 . ?
C29 C28 1.363(6) . ?
C29 C30 1.395(6) . ?
C29 H29 0.9300 . ?
C34 C35 1.346(6) . ?
C34 N10 1.358(6) . ?
C34 H34 0.9300 . ?
C35 N9 1.366(6) . ?
C35 H35 0.9300 . ?
C33 N9 1.334(5) . ?
C33 N10 1.346(5) . ?
C33 H33 0.9300 . ?
C32 C31 1.364(6) . ?
C32 H32 0.9300 . ?
C31 C30 1.365(6) . ?
C31 N9 1.453(5) . ?
C30 H30 0.9300 . ?
Cu1 O2 1.989(3) . ?
Cu1 N1 1.991(3) . ?
Cu1 O1 1.999(3) 2_646 ?
Cu1 N5 1.999(3) 1_655 ?
Cu1 O3 2.349(3) . ?
Cu1 O6 2.394(3) 2_656 ?
Cu2 N10 1.957(3) 1_655 ?
Cu2 N6 1.979(4) . ?
Cu2 O4 1.985(3) . ?
Cu2 O5 1.988(3) . ?
Cu2 O4 2.327(3) 3_667 ?
N5 Cu1 1.999(3) 1_455 ?
N10 Cu2 1.957(3) 1_455 ?
N11 O2 1.245(4) . ?
N11 O1 1.256(4) . ?
N12 O3 1.229(4) . ?
N12 O4 1.273(4) . ?
N13 O5 1.253(4) . ?
N13 O6 1.253(4) . ?
N14 O10 1.238(5) . ?
N14 O11 1.247(4) . ?
O1 Cu1 1.999(3) 2_656 ?
O4 Cu2 2.327(3) 3_667 ?
O6 Cu1 2.394(3) 2_646 ?
O7 H7D 0.8500 . ?
O7 H7B 0.8500 . ?
O8 H8B 0.8500 . ?
O8 H8D 0.8499 . ?
O9 O9 1.64(2) 3_566 ?
O9 H9B 0.8501 . ?
O9 H9D 0.8500 . ?
