#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/80/7208066.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_7208066
loop_
_publ_author_name
'Cao, Xinjiang'
'Zhang, Jun'
'Wang, Chengjie'
'Zhu, Yanyan'
'Li, Gang'
_publ_section_title
;
 Design and construction of six metal--organic frameworks with
 2-p-methoxyphenyl-1H-imidazole-4,5-dicarboxylate
;
_journal_issue                   13
_journal_name_full               CrystEngComm
_journal_page_first              4357
_journal_paper_doi               10.1039/c2ce25081k
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C24 H19 Cd1.5 N4 O11'
_chemical_formula_weight         708.03
_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                107.6520(10)
_cell_angle_beta                 97.1680(10)
_cell_angle_gamma                105.2960(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0336(8)
_cell_length_b                   10.1550(9)
_cell_length_c                   15.4904(13)
_cell_measurement_temperature    296(2)
_cell_volume                     1273.33(19)
_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 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0227
_diffrn_reflns_av_sigmaI/netI    0.0371
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11714
_diffrn_reflns_theta_full        27.61
_diffrn_reflns_theta_max         27.61
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    1.334
_exptl_absorpt_correction_T_max  0.8352
_exptl_absorpt_correction_T_min  0.7856
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.847
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             702
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.396
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     369
_refine_ls_number_reflns         5797
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0417
_refine_ls_R_factor_gt           0.0288
_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)+(0.0331P)²+0.2124P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0638
_refine_ls_wR_factor_ref         0.0693
_reflns_number_gt                4658
_reflns_number_total             5797
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25081k.txt
_cod_data_source_block           p3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      p-1
_cod_original_formula_sum        'C24 H19 Cd1.50 N4 O11'
_cod_database_code               7208066
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
Cd1 Cd 0.5000 0.0000 0.5000 0.02565(8) Uani 1 2 d S
Cd2 Cd -0.11754(2) 0.55711(2) 0.587752(14) 0.02650(7) Uani 1 1 d .
N1 N 0.8672(3) 0.5663(2) 0.73546(15) 0.0263(5) Uani 1 1 d .
N2 N 0.9221(3) 0.5692(3) 0.87790(16) 0.0376(6) Uani 1 1 d .
H2 H 0.9610 0.6001 0.9367 0.045 Uiso 1 1 calc R
N3 N 0.3515(2) 0.1362(2) 0.47158(15) 0.0238(5) Uani 1 1 d .
N4 N 0.2457(2) 0.3086(2) 0.45934(15) 0.0244(5) Uani 1 1 d .
O1 O 0.6338(2) 0.1868(2) 0.65067(13) 0.0353(5) Uani 1 1 d .
O2 O 0.7026(2) 0.3376(2) 0.57362(13) 0.0302(4) Uani 1 1 d .
O3 O 0.6939(4) 0.1910(3) 0.81591(17) 0.0724(9) Uani 1 1 d .
H3 H 0.6859 0.1843 0.7613 0.109 Uiso 1 1 calc R
O4 O 0.8411(4) 0.3490(3) 0.95091(16) 0.0690(8) Uani 1 1 d .
O5 O 1.2097(3) 1.2592(2) 0.95000(18) 0.0589(7) Uani 1 1 d .
O6 O 0.2943(2) -0.0372(2) 0.58039(14) 0.0355(5) Uani 1 1 d .
O7 O 0.1203(3) 0.0615(3) 0.63639(17) 0.0461(6) Uani 1 1 d .
H7 H 0.0860 0.1277 0.6339 0.069 Uiso 1 1 calc R
O8 O 0.0147(3) 0.2617(2) 0.62711(15) 0.0410(5) Uani 1 1 d .
O9 O 0.0460(2) 0.4205(2) 0.55279(14) 0.0359(5) Uani 1 1 d .
O10 O 0.6666(3) 0.3522(3) 0.15931(16) 0.0549(7) Uani 1 1 d .
O11 O 0.1217(3) 0.7492(3) 0.64888(18) 0.0588(7) Uani 1 1 d .
H11A H 0.1794 0.7816 0.6157 0.088 Uiso 1 1 d R
H11B H 0.0766 0.8142 0.6601 0.088 Uiso 1 1 d R
C1 C 0.7059(3) 0.3099(3) 0.64653(18) 0.0262(6) Uani 1 1 d .
C2 C 0.7987(3) 0.4293(3) 0.73612(18) 0.0266(6) Uani 1 1 d .
C3 C 0.8316(4) 0.4294(3) 0.8246(2) 0.0343(7) Uani 1 1 d .
C4 C 0.7894(5) 0.3194(4) 0.8689(2) 0.0505(9) Uani 1 1 d .
C5 C 0.9403(3) 0.6505(3) 0.82292(19) 0.0303(6) Uani 1 1 d .
C6 C 1.0179(4) 0.8089(3) 0.85686(19) 0.0317(6) Uani 1 1 d .
C7 C 1.1426(4) 0.8779(3) 0.9338(2) 0.0396(7) Uani 1 1 d .
H7A H 1.1807 0.8229 0.9638 0.047 Uiso 1 1 calc R
C8 C 1.2111(4) 1.0283(3) 0.9665(2) 0.0454(8) Uani 1 1 d .
H8 H 1.2955 1.0742 1.0178 0.054 Uiso 1 1 calc R
C9 C 1.1523(4) 1.1090(3) 0.9219(2) 0.0416(8) Uani 1 1 d .
C10 C 1.0285(4) 1.0415(3) 0.8453(2) 0.0473(9) Uani 1 1 d .
H10 H 0.9908 1.0968 0.8154 0.057 Uiso 1 1 calc R
C11 C 0.9608(4) 0.8929(3) 0.8131(2) 0.0410(8) Uani 1 1 d .
H11 H 0.8764 0.8478 0.7619 0.049 Uiso 1 1 calc R
C12 C 1.3527(5) 1.3300(4) 1.0193(3) 0.0696(12) Uani 1 1 d .
H12A H 1.3815 1.4334 1.0331 0.104 Uiso 1 1 calc R
H12B H 1.4347 1.2954 0.9967 0.104 Uiso 1 1 calc R
H12C H 1.3382 1.3089 1.0746 0.104 Uiso 1 1 calc R
C13 C 0.2216(3) 0.0517(3) 0.5846(2) 0.0306(6) Uani 1 1 d .
C14 C 0.2484(3) 0.1472(3) 0.52934(18) 0.0237(6) Uani 1 1 d .
C15 C 0.1844(3) 0.2530(3) 0.52195(18) 0.0249(6) Uani 1 1 d .
C16 C 0.0732(3) 0.3151(3) 0.57084(19) 0.0290(6) Uani 1 1 d .
C17 C 0.3468(3) 0.2353(3) 0.43081(18) 0.0228(5) Uani 1 1 d .
C18 C 0.4365(3) 0.2669(3) 0.36257(18) 0.0243(6) Uani 1 1 d .
C19 C 0.4860(3) 0.4084(3) 0.3616(2) 0.0304(6) Uani 1 1 d .
H19 H 0.4664 0.4827 0.4063 0.036 Uiso 1 1 calc R
C20 C 0.5635(3) 0.4403(3) 0.2954(2) 0.0362(7) Uani 1 1 d .
H20 H 0.5971 0.5359 0.2966 0.043 Uiso 1 1 calc R
C21 C 0.5914(4) 0.3318(4) 0.2277(2) 0.0375(7) Uani 1 1 d .
C22 C 0.5438(4) 0.1901(4) 0.2275(2) 0.0422(8) Uani 1 1 d .
H22 H 0.5629 0.1162 0.1822 0.051 Uiso 1 1 calc R
C23 C 0.4678(4) 0.1583(3) 0.2950(2) 0.0342(7) Uani 1 1 d .
H23 H 0.4375 0.0633 0.2948 0.041 Uiso 1 1 calc R
C24 C 0.7276(5) 0.4969(5) 0.1601(3) 0.0651(11) Uani 1 1 d .
H24A H 0.7778 0.4957 0.1089 0.098 Uiso 1 1 calc R
H24B H 0.8031 0.5559 0.2173 0.098 Uiso 1 1 calc R
H24C H 0.6432 0.5369 0.1546 0.098 Uiso 1 1 calc 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'
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'
Cd Cd -0.8075 1.2024 '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
N3 Cd1 N3 180.00(11) 2_656 .
N3 Cd1 O6 106.22(7) 2_656 .
N3 Cd1 O6 73.78(7) . .
N3 Cd1 O6 73.78(7) 2_656 2_656
N3 Cd1 O6 106.22(7) . 2_656
O6 Cd1 O6 180.0 . 2_656
N3 Cd1 O1 89.34(7) 2_656 .
N3 Cd1 O1 90.66(7) . .
O6 Cd1 O1 81.03(7) . .
O6 Cd1 O1 98.97(7) 2_656 .
N3 Cd1 O1 90.66(7) 2_656 2_656
N3 Cd1 O1 89.34(7) . 2_656
O6 Cd1 O1 98.97(7) . 2_656
O6 Cd1 O1 81.03(7) 2_656 2_656
O1 Cd1 O1 180.0 . 2_656
N4 Cd2 N1 112.07(8) 2_566 1_455
N4 Cd2 O9 145.39(7) 2_566 .
N1 Cd2 O9 102.30(7) 1_455 .
N4 Cd2 O2 109.00(7) 2_566 1_455
N1 Cd2 O2 73.69(7) 1_455 1_455
O9 Cd2 O2 83.95(7) . 1_455
N4 Cd2 O11 93.74(8) 2_566 .
N1 Cd2 O11 89.05(8) 1_455 .
O9 Cd2 O11 82.57(9) . .
O2 Cd2 O11 155.25(7) 1_455 .
N4 Cd2 O9 71.71(7) 2_566 2_566
N1 Cd2 O9 168.05(8) 1_455 2_566
O9 Cd2 O9 73.80(7) . 2_566
O2 Cd2 O9 116.48(7) 1_455 2_566
O11 Cd2 O9 79.29(8) . 2_566
C5 N1 C2 106.8(2) . .
C5 N1 Cd2 139.24(19) . 1_655
C2 N1 Cd2 110.30(16) . 1_655
C5 N2 C3 108.7(2) . .
C5 N2 H2 125.6 . .
C3 N2 H2 125.6 . .
C17 N3 C14 105.2(2) . .
C17 N3 Cd1 141.72(17) . .
C14 N3 Cd1 111.33(16) . .
C17 N4 C15 105.2(2) . .
C17 N4 Cd2 138.64(17) . 2_566
C15 N4 Cd2 114.14(16) . 2_566
C1 O1 Cd1 113.96(17) . .
C1 O2 Cd2 114.71(17) . 1_655
C4 O3 H3 109.5 . .
C9 O5 C12 116.7(3) . .
C13 O6 Cd1 112.35(17) . .
C13 O7 H7 109.5 . .
C16 O9 Cd2 137.12(18) . .
C16 O9 Cd2 113.47(17) . 2_566
Cd2 O9 Cd2 106.20(7) . 2_566
C21 O10 C24 118.1(3) . .
Cd2 O11 H11A 123.9 . .
Cd2 O11 H11B 93.3 . .
H11A O11 H11B 97.3 . .
O2 C1 O1 124.3(3) . .
O2 C1 C2 118.3(2) . .
O1 C1 C2 117.4(2) . .
C3 C2 N1 109.4(2) . .
C3 C2 C1 131.5(3) . .
N1 C2 C1 119.1(2) . .
C2 C3 N2 105.6(2) . .
C2 C3 C4 134.8(3) . .
N2 C3 C4 119.5(3) . .
O4 C4 O3 122.5(3) . .
O4 C4 C3 120.8(3) . .
O3 C4 C3 116.8(3) . .
N1 C5 N2 109.4(2) . .
N1 C5 C6 126.0(3) . .
N2 C5 C6 124.4(2) . .
C7 C6 C11 119.1(3) . .
C7 C6 C5 121.5(3) . .
C11 C6 C5 119.3(3) . .
C8 C7 C6 120.6(3) . .
C8 C7 H7A 119.7 . .
C6 C7 H7A 119.7 . .
C9 C8 C7 119.1(3) . .
C9 C8 H8 120.5 . .
C7 C8 H8 120.5 . .
C10 C9 O5 115.5(3) . .
C10 C9 C8 120.8(3) . .
O5 C9 C8 123.7(3) . .
C11 C10 C9 120.1(3) . .
C11 C10 H10 120.0 . .
C9 C10 H10 120.0 . .
C10 C11 C6 120.3(3) . .
C10 C11 H11 119.8 . .
C6 C11 H11 119.8 . .
O5 C12 H12A 109.5 . .
O5 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
O5 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
O6 C13 O7 121.1(3) . .
O6 C13 C14 120.1(2) . .
O7 C13 C14 118.8(2) . .
N3 C14 C15 108.6(2) . .
N3 C14 C13 120.1(2) . .
C15 C14 C13 131.3(2) . .
N4 C15 C14 108.6(2) . .
N4 C15 C16 119.4(2) . .
C14 C15 C16 132.0(2) . .
O8 C16 O9 124.6(3) . .
O8 C16 C15 119.1(2) . .
O9 C16 C15 116.3(2) . .
N3 C17 N4 112.4(2) . .
N3 C17 C18 126.8(2) . .
N4 C17 C18 120.7(2) . .
C23 C18 C19 118.0(3) . .
C23 C18 C17 122.1(2) . .
C19 C18 C17 119.8(2) . .
C20 C19 C18 121.2(3) . .
C20 C19 H19 119.4 . .
C18 C19 H19 119.4 . .
C21 C20 C19 120.4(3) . .
C21 C20 H20 119.8 . .
C19 C20 H20 119.8 . .
O10 C21 C20 124.8(3) . .
O10 C21 C22 115.8(3) . .
C20 C21 C22 119.4(3) . .
C21 C22 C23 120.2(3) . .
C21 C22 H22 119.9 . .
C23 C22 H22 119.9 . .
C18 C23 C22 120.8(3) . .
C18 C23 H23 119.6 . .
C22 C23 H23 119.6 . .
O10 C24 H24A 109.5 . .
O10 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
O10 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N3 2.260(2) 2_656
Cd1 N3 2.260(2) .
Cd1 O6 2.3742(19) .
Cd1 O6 2.3742(19) 2_656
Cd1 O1 2.4305(19) .
Cd1 O1 2.4305(19) 2_656
Cd2 N4 2.227(2) 2_566
Cd2 N1 2.284(2) 1_455
Cd2 O9 2.2856(18) .
Cd2 O2 2.3153(19) 1_455
Cd2 O11 2.349(2) .
Cd2 O9 2.4048(19) 2_566
N1 C5 1.334(3) .
N1 C2 1.370(3) .
N1 Cd2 2.284(2) 1_655
N2 C5 1.350(3) .
N2 C3 1.369(4) .
N2 H2 0.8600 .
N3 C17 1.347(3) .
N3 C14 1.372(3) .
N4 C17 1.358(3) .
N4 C15 1.367(3) .
N4 Cd2 2.227(2) 2_566
O1 C1 1.273(3) .
O2 C1 1.242(3) .
O2 Cd2 2.3153(19) 1_655
O3 C4 1.303(4) .
O3 H3 0.8200 .
O4 C4 1.212(4) .
O5 C9 1.382(3) .
O5 C12 1.426(4) .
O6 C13 1.241(3) .
O7 C13 1.294(3) .
O7 H7 0.8200 .
O8 C16 1.258(3) .
O9 C16 1.261(3) .
O9 Cd2 2.4048(19) 2_566
O10 C21 1.366(3) .
O10 C24 1.423(4) .
O11 H11A 0.8500 .
O11 H11B 0.8501 .
C1 C2 1.500(4) .
C2 C3 1.366(4) .
C3 C4 1.473(4) .
C5 C6 1.469(4) .
C6 C7 1.386(4) .
C6 C11 1.395(4) .
C7 C8 1.388(4) .
C7 H7A 0.9300 .
C8 C9 1.383(4) .
C8 H8 0.9300 .
C9 C10 1.378(5) .
C10 C11 1.372(4) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.470(4) .
C14 C15 1.374(3) .
C15 C16 1.488(3) .
C17 C18 1.470(4) .
C18 C23 1.389(4) .
C18 C19 1.393(4) .
C19 C20 1.381(4) .
C19 H19 0.9300 .
C20 C21 1.375(4) .
C20 H20 0.9300 .
C21 C22 1.387(4) .
C22 C23 1.391(4) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
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
N3 Cd1 N3 C17 -36(100) 2_656 .
O6 Cd1 N3 C17 174.1(3) . .
O6 Cd1 N3 C17 -5.9(3) 2_656 .
O1 Cd1 N3 C17 93.6(3) . .
O1 Cd1 N3 C17 -86.4(3) 2_656 .
N3 Cd1 N3 C14 163(100) 2_656 .
O6 Cd1 N3 C14 12.44(17) . .
O6 Cd1 N3 C14 -167.56(17) 2_656 .
O1 Cd1 N3 C14 -68.03(18) . .
O1 Cd1 N3 C14 111.97(18) 2_656 .
N3 Cd1 O1 C1 120.16(19) 2_656 .
N3 Cd1 O1 C1 -59.84(19) . .
O6 Cd1 O1 C1 -133.30(19) . .
O6 Cd1 O1 C1 46.70(19) 2_656 .
O1 Cd1 O1 C1 39(100) 2_656 .
N3 Cd1 O6 C13 167.5(2) 2_656 .
N3 Cd1 O6 C13 -12.5(2) . .
O6 Cd1 O6 C13 -62(100) 2_656 .
O1 Cd1 O6 C13 80.8(2) . .
O1 Cd1 O6 C13 -99.2(2) 2_656 .
N4 Cd2 O9 C16 -152.4(3) 2_566 .
N1 Cd2 O9 C16 34.4(3) 1_455 .
O2 Cd2 O9 C16 -37.4(3) 1_455 .
O11 Cd2 O9 C16 121.8(3) . .
O9 Cd2 O9 C16 -157.3(3) 2_566 .
N4 Cd2 O9 Cd2 4.85(18) 2_566 2_566
N1 Cd2 O9 Cd2 -168.34(8) 1_455 2_566
O2 Cd2 O9 Cd2 119.85(9) 1_455 2_566
O11 Cd2 O9 Cd2 -80.95(9) . 2_566
O9 Cd2 O9 Cd2 0.0 2_566 2_566
Cd2 O2 C1 O1 -169.2(2) 1_655 .
Cd2 O2 C1 C2 11.7(3) 1_655 .
Cd1 O1 C1 O2 4.0(3) . .
Cd1 O1 C1 C2 -176.89(17) . .
C5 N1 C2 C3 -0.7(3) . .
Cd2 N1 C2 C3 162.2(2) 1_655 .
C5 N1 C2 C1 179.5(2) . .
Cd2 N1 C2 C1 -17.6(3) 1_655 .
O2 C1 C2 C3 -175.4(3) . .
O1 C1 C2 C3 5.5(4) . .
O2 C1 C2 N1 4.4(4) . .
O1 C1 C2 N1 -174.8(2) . .
N1 C2 C3 N2 -0.2(3) . .
C1 C2 C3 N2 179.6(3) . .
N1 C2 C3 C4 178.4(4) . .
C1 C2 C3 C4 -1.9(6) . .
C5 N2 C3 C2 1.0(3) . .
C5 N2 C3 C4 -177.8(3) . .
C2 C3 C4 O4 177.4(4) . .
N2 C3 C4 O4 -4.2(6) . .
C2 C3 C4 O3 -3.2(6) . .
N2 C3 C4 O3 175.3(3) . .
C2 N1 C5 N2 1.3(3) . .
Cd2 N1 C5 N2 -153.7(2) 1_655 .
C2 N1 C5 C6 -174.1(3) . .
Cd2 N1 C5 C6 30.9(5) 1_655 .
C3 N2 C5 N1 -1.5(3) . .
C3 N2 C5 C6 174.0(3) . .
N1 C5 C6 C7 -152.2(3) . .
N2 C5 C6 C7 33.1(5) . .
N1 C5 C6 C11 30.6(5) . .
N2 C5 C6 C11 -144.2(3) . .
C11 C6 C7 C8 -0.7(5) . .
C5 C6 C7 C8 -178.0(3) . .
C6 C7 C8 C9 0.6(5) . .
C12 O5 C9 C10 -170.3(3) . .
C12 O5 C9 C8 10.4(5) . .
C7 C8 C9 C10 -0.7(5) . .
C7 C8 C9 O5 178.5(3) . .
O5 C9 C10 C11 -178.5(3) . .
C8 C9 C10 C11 0.8(6) . .
C9 C10 C11 C6 -0.8(5) . .
C7 C6 C11 C10 0.8(5) . .
C5 C6 C11 C10 178.1(3) . .
Cd1 O6 C13 O7 -170.4(2) . .
Cd1 O6 C13 C14 10.3(3) . .
C17 N3 C14 C15 -0.1(3) . .
Cd1 N3 C14 C15 168.25(17) . .
C17 N3 C14 C13 179.0(2) . .
Cd1 N3 C14 C13 -12.7(3) . .
O6 C13 C14 N3 1.3(4) . .
O7 C13 C14 N3 -178.0(3) . .
O6 C13 C14 C15 -179.8(3) . .
O7 C13 C14 C15 0.9(5) . .
C17 N4 C15 C14 -0.4(3) . .
Cd2 N4 C15 C14 166.35(17) 2_566 .
C17 N4 C15 C16 177.1(2) . .
Cd2 N4 C15 C16 -16.1(3) 2_566 .
N3 C14 C15 N4 0.3(3) . .
C13 C14 C15 N4 -178.6(3) . .
N3 C14 C15 C16 -176.8(3) . .
C13 C14 C15 C16 4.3(5) . .
Cd2 O9 C16 O8 -6.9(5) . .
Cd2 O9 C16 O8 -163.1(2) 2_566 .
Cd2 O9 C16 C15 173.87(19) . .
Cd2 O9 C16 C15 17.7(3) 2_566 .
N4 C15 C16 O8 178.7(3) . .
C14 C15 C16 O8 -4.5(5) . .
N4 C15 C16 O9 -2.1(4) . .
C14 C15 C16 O9 174.8(3) . .
C14 N3 C17 N4 -0.2(3) . .
Cd1 N3 C17 N4 -162.5(2) . .
C14 N3 C17 C18 179.9(3) . .
Cd1 N3 C17 C18 17.6(5) . .
C15 N4 C17 N3 0.4(3) . .
Cd2 N4 C17 N3 -161.2(2) 2_566 .
C15 N4 C17 C18 -179.7(2) . .
Cd2 N4 C17 C18 18.7(4) 2_566 .
N3 C17 C18 C23 36.6(4) . .
N4 C17 C18 C23 -143.3(3) . .
N3 C17 C18 C19 -146.8(3) . .
N4 C17 C18 C19 33.4(4) . .
C23 C18 C19 C20 0.1(4) . .
C17 C18 C19 C20 -176.7(3) . .
C18 C19 C20 C21 1.1(4) . .
C24 O10 C21 C20 3.1(5) . .
C24 O10 C21 C22 -175.7(3) . .
C19 C20 C21 O10 179.9(3) . .
C19 C20 C21 C22 -1.4(5) . .
O10 C21 C22 C23 179.3(3) . .
C20 C21 C22 C23 0.4(5) . .
C19 C18 C23 C22 -1.0(4) . .
C17 C18 C23 C22 175.7(3) . .
C21 C22 C23 C18 0.8(5) . .
