#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/79/1507906.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_1507906
loop_
_publ_author_name
Zhu,
Bao-Yong'
'Zhang, Xiu-Ling'
'Guo, Feng'
'Liu, Xin-Hua'
_publ_section_title
;
 Synthesis and characterization of four new coordination polymers
 constructed with d10 metals and mixed flexible ligands under solvothermal
 conditions
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              58
_journal_page_last               65
_journal_paper_doi               10.1016/j.ica.2012.04.044
_journal_volume                  391
_journal_year                    2012
_chemical_formula_sum            'C20 H22 Cd N4 O6'
_chemical_formula_weight         526.82
_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
_cell_angle_alpha                100.725(1)
_cell_angle_beta                 94.975(1)
_cell_angle_gamma                106.713(1)
_cell_formula_units_Z            2
_cell_length_a                   9.663(1)
_cell_length_b                   9.762(1)
_cell_length_c                   12.051(1)
_cell_measurement_reflns_used    4269
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.43
_cell_measurement_theta_min      2.23
_cell_volume                     1057.79(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXTL(Sheldrick, 2008)'
_computing_publication_material  'WINGX (Farrugia,1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare,1999)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type
'Bruker APEX2 CCD area-detector diffractometer'
_diffrn_measurement_method       'φ and ω 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  0.0133
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            5499
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    1.077
_exptl_absorpt_correction_T_max  0.9055
_exptl_absorpt_correction_T_min  0.7723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.982
_refine_diff_density_min         -1.103
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         3692
_refine_ls_number_restraints     279
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0373
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0663P)²+2.5395P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1080
_reflns_number_gt                3471
_reflns_number_total             3692
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2012-391-58-65-4.cif
_cod_data_source_block           global
_cod_original_cell_volume        1057.8(2)
_cod_database_code               1507906
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 0.64797(3) 0.01477(3) 0.39480(2) 0.03208(14) Uani 1 1 d U
O5 O 0.6111(3) 0.0990(4) 0.5782(3) 0.0430(8) Uani 1 1 d .
N4 N 0.7626(4) -0.3899(4) 0.3879(3) 0.0362(8) Uani 1 1 d .
O3 O 0.5893(4) 0.1965(4) 0.3178(3) 0.0522(9) Uani 1 1 d .
O2 O 0.5414(4) -0.0136(4) 0.1944(3) 0.0508(9) Uani 1 1 d U
O4 O 0.9107(4) 0.3019(5) 0.7919(3) 0.0580(11) Uani 1 1 d .
O6 O 0.8444(4) 0.1617(5) 0.5735(3) 0.0669(12) Uani 1 1 d U
O1 O 0.5168(5) 0.3298(4) 0.1574(3) 0.0586(11) Uani 1 1 d .
N3 N 0.6754(4) -0.2038(4) 0.3990(3) 0.0357(8) Uani 1 1 d .
C17 C 0.8682(5) -0.4722(5) 0.3833(4) 0.0417(10) Uani 1 1 d U
H17A H 0.9425 -0.4320 0.3388 0.050 Uiso 1 1 calc R
H17B H 0.8186 -0.5738 0.3457 0.050 Uiso 1 1 calc R
C5 C 0.5481(5) 0.1181(5) 0.2192(4) 0.0412(10) Uani 1 1 d U
C20 C 0.6253(6) -0.4358(6) 0.4162(5) 0.0464(11) Uani 1 1 d U
H20 H 0.5774 -0.5281 0.4278 0.056 Uiso 1 1 calc R
C1 C 0.4614(5) 0.4410(5) -0.1148(4) 0.0394(10) Uani 1 1 d U
H1 H 0.4351 0.4013 -0.1928 0.047 Uiso 1 1 calc R
C10 C 0.7415(5) 0.1613(5) 0.6250(4) 0.0351(9) Uani 1 1 d U
N1 N 0.8695(6) 0.0742(6) 0.3185(5) 0.0660(11) Uani 1 1 d DU
C3 C 0.5049(5) 0.4091(5) 0.0752(4) 0.0372(9) Uani 1 1 d U
C9 C 0.7605(5) 0.2424(6) 0.7470(4) 0.0436(11) Uani 1 1 d U
H9A H 0.7167 0.3207 0.7510 0.052 Uiso 1 1 calc R
H9B H 0.7114 0.1759 0.7921 0.052 Uiso 1 1 calc R
C8 C 0.9493(5) 0.3988(6) 0.8962(4) 0.0429(11) Uani 1 1 d U
C2 C 0.4659(5) 0.3492(5) -0.0414(4) 0.0393(10) Uani 1 1 d U
H2 H 0.4431 0.2487 -0.0694 0.047 Uiso 1 1 calc R
C6 C 0.9031(5) 0.5304(7) 1.0698(4) 0.0512(13) Uani 1 1 d U
H6 H 0.8369 0.5508 1.1168 0.061 Uiso 1 1 calc R
C19 C 0.5733(6) -0.3210(6) 0.4238(5) 0.0452(11) Uani 1 1 d U
H19 H 0.4822 -0.3207 0.4430 0.054 Uiso 1 1 calc R
C18 C 0.7881(5) -0.2510(5) 0.3776(4) 0.0396(10) Uani 1 1 d U
H18 H 0.8739 -0.1948 0.3580 0.047 Uiso 1 1 calc R
C16 C 0.9396(5) -0.4647(6) 0.5016(5) 0.0448(11) Uani 1 1 d U
H16A H 0.8664 -0.5141 0.5433 0.054 Uiso 1 1 calc R
H16B H 0.9798 -0.3629 0.5420 0.054 Uiso 1 1 calc R
C7 C 0.8527(5) 0.4299(6) 0.9672(4) 0.0487(12) Uani 1 1 d U
H7 H 0.7530 0.3829 0.9456 0.058 Uiso 1 1 calc R
C4 C 0.5085(6) 0.1815(6) 0.1201(4) 0.0456(11) Uani 1 1 d U
H4A H 0.5746 0.1739 0.0648 0.055 Uiso 1 1 calc R
H4B H 0.4101 0.1255 0.0828 0.055 Uiso 1 1 calc R
N2 N 1.0397(7) 0.1604(7) 0.2155(6) 0.0800(18) Uani 1 1 d D
C12 C 1.0847(12) 0.1996(12) 0.1104(9) 0.118(3) Uani 1 1 d DU
H12A H 1.1850 0.2637 0.1259 0.142 Uiso 1 1 calc R
H12B H 1.0234 0.2523 0.0816 0.142 Uiso 1 1 calc R
C11 C 1.0721(13) 0.0590(13) 0.0186(10) 0.139(3) Uani 1 1 d DU
H11A H 1.1414 0.0143 0.0471 0.166 Uiso 1 1 calc R
H11B H 1.1044 0.0906 -0.0491 0.166 Uiso 1 1 calc R
C14 C 1.0083(8) 0.0871(10) 0.3612(8) 0.0932(16) Uani 1 1 d DU
H14 H 1.0288 0.0691 0.4330 0.112 Uiso 1 1 calc R
C13 C 0.9010(9) 0.1306(9) 0.2333(6) 0.0813(16) Uani 1 1 d DU
H13 H 0.8310 0.1500 0.1860 0.098 Uiso 1 1 calc R
C15 C 1.1208(10) 0.1278(12) 0.2962(8) 0.112(2) Uani 1 1 d DU
H15 H 1.2183 0.1310 0.3058 0.134 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 O5 103.45(14) . .
N3 Cd1 O3 158.04(14) . .
O5 Cd1 O3 96.21(13) . .
N3 Cd1 N1 87.91(16) . .
O5 Cd1 N1 127.27(16) . .
O3 Cd1 N1 87.90(17) . .
N3 Cd1 O2 103.73(13) . .
O5 Cd1 O2 140.07(13) . .
O3 Cd1 O2 54.34(12) . .
N1 Cd1 O2 82.38(17) . .
N3 Cd1 O5 85.75(13) . 2_656
O5 Cd1 O5 68.97(12) . 2_656
O3 Cd1 O5 92.36(13) . 2_656
N1 Cd1 O5 163.65(16) . 2_656
O2 Cd1 O5 84.50(12) . 2_656
N3 Cd1 O6 95.98(15) . .
O5 Cd1 O6 51.73(11) . .
O3 Cd1 O6 103.92(15) . .
N1 Cd1 O6 76.18(16) . .
O2 Cd1 O6 150.22(14) . .
O5 Cd1 O6 119.46(11) 2_656 .
N3 Cd1 C5 130.83(15) . .
O5 Cd1 C5 120.03(14) . .
O3 Cd1 C5 27.21(14) . .
N1 Cd1 C5 83.55(17) . .
O2 Cd1 C5 27.16(14) . .
O5 Cd1 C5 89.22(13) 2_656 .
O6 Cd1 C5 128.07(16) . .
C10 O5 Cd1 99.9(3) . .
C10 O5 Cd1 146.8(3) . 2_656
Cd1 O5 Cd1 111.03(12) . 2_656
C18 N4 C20 107.4(4) . .
C18 N4 C17 126.3(4) . .
C20 N4 C17 125.9(4) . .
C5 O3 Cd1 94.3(3) . .
C5 O2 Cd1 87.7(3) . .
C8 O4 C9 117.8(4) . .
C10 O6 Cd1 85.9(3) . .
C3 O1 C4 117.8(4) . .
C18 N3 C19 105.1(4) . .
C18 N3 Cd1 129.1(3) . .
C19 N3 Cd1 125.9(3) . .
N4 C17 C16 111.0(4) . .
N4 C17 H17A 109.4 . .
C16 C17 H17A 109.4 . .
N4 C17 H17B 109.4 . .
C16 C17 H17B 109.4 . .
H17A C17 H17B 108.0 . .
O3 C5 O2 123.5(4) . .
O3 C5 C4 120.9(4) . .
O2 C5 C4 115.6(5) . .
O3 C5 Cd1 58.5(2) . .
O2 C5 Cd1 65.1(3) . .
C4 C5 Cd1 174.3(4) . .
C19 C20 N4 106.4(4) . .
C19 C20 H20 126.8 . .
N4 C20 H20 126.8 . .
C2 C1 C3 121.6(4) . 2_665
C2 C1 H1 119.2 . .
C3 C1 H1 119.2 2_665 .
O6 C10 O5 122.4(4) . .
O6 C10 C9 122.4(4) . .
O5 C10 C9 115.1(4) . .
C13 N1 C14 96.5(6) . .
C13 N1 Cd1 130.3(5) . .
C14 N1 Cd1 132.1(5) . .
C1 C3 O1 115.8(4) 2_665 .
C1 C3 C2 119.4(4) 2_665 .
O1 C3 C2 124.7(4) . .
O4 C9 C10 110.0(4) . .
O4 C9 H9A 109.7 . .
C10 C9 H9A 109.7 . .
O4 C9 H9B 109.7 . .
C10 C9 H9B 109.7 . .
H9A C9 H9B 108.2 . .
C6 C8 O4 116.2(4) 2_767 .
C6 C8 C7 118.8(4) 2_767 .
O4 C8 C7 125.1(4) . .
C1 C2 C3 119.0(4) . .
C1 C2 H2 120.5 . .
C3 C2 H2 120.5 . .
C8 C6 C7 120.9(5) 2_767 .
C8 C6 H6 119.6 2_767 .
C7 C6 H6 119.6 . .
C20 C19 N3 109.8(4) . .
C20 C19 H19 125.1 . .
N3 C19 H19 125.1 . .
N3 C18 N4 111.3(4) . .
N3 C18 H18 124.3 . .
N4 C18 H18 124.3 . .
C17 C16 C16 111.9(5) . 2_746
C17 C16 H16A 109.2 . .
C16 C16 H16A 109.2 2_746 .
C17 C16 H16B 109.2 . .
C16 C16 H16B 109.2 2_746 .
H16A C16 H16B 107.9 . .
C6 C7 C8 120.3(4) . .
C6 C7 H7 119.8 . .
C8 C7 H7 119.8 . .
O1 C4 C5 111.1(4) . .
O1 C4 H4A 109.4 . .
C5 C4 H4A 109.4 . .
O1 C4 H4B 109.4 . .
C5 C4 H4B 109.4 . .
H4A C4 H4B 108.0 . .
C15 N2 C13 111.2(6) . .
C15 N2 C12 126.3(7) . .
C13 N2 C12 121.7(8) . .
N2 C12 C11 110.4(9) . .
N2 C12 H12A 109.6 . .
C11 C12 H12A 109.6 . .
N2 C12 H12B 109.6 . .
C11 C12 H12B 109.6 . .
H12A C12 H12B 108.1 . .
C12 C11 C11 119.9(13) . 2_755
C12 C11 H11A 107.3 . .
C11 C11 H11A 107.3 2_755 .
C12 C11 H11B 107.3 . .
C11 C11 H11B 107.3 2_755 .
H11A C11 H11B 106.9 . .
N1 C14 C15 119.4(8) . .
N1 C14 H14 120.3 . .
C15 C14 H14 120.3 . .
N1 C13 N2 116.3(7) . .
N1 C13 H13 121.8 . .
N2 C13 H13 121.8 . .
N2 C15 C14 95.6(8) . .
N2 C15 H15 132.2 . .
C14 C15 H15 132.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N3 2.233(4) .
Cd1 O5 2.306(3) .
Cd1 O3 2.331(4) .
Cd1 N1 2.364(5) .
Cd1 O2 2.475(3) .
Cd1 O5 2.506(3) 2_656
Cd1 O6 2.622(4) .
Cd1 C5 2.725(5) .
O5 C10 1.259(5) .
O5 Cd1 2.506(3) 2_656
N4 C18 1.338(6) .
N4 C20 1.367(6) .
N4 C17 1.468(6) .
O3 C5 1.250(6) .
O2 C5 1.245(6) .
O4 C8 1.374(6) .
O4 C9 1.414(5) .
O6 C10 1.216(6) .
O1 C3 1.383(6) .
O1 C4 1.410(6) .
N3 C18 1.326(6) .
N3 C19 1.379(6) .
C17 C16 1.509(7) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C5 C4 1.513(7) .
C20 C19 1.346(7) .
C20 H20 0.9300 .
C1 C2 1.378(6) .
C1 C3 1.383(7) 2_665
C1 H1 0.9300 .
C10 C9 1.503(6) .
N1 C13 1.273(7) .
N1 C14 1.356(7) .
C3 C1 1.383(7) 2_665
C3 C2 1.390(7) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C8 C6 1.380(7) 2_767
C8 C7 1.378(7) .
C2 H2 0.9300 .
C6 C8 1.380(7) 2_767
C6 C7 1.378(7) .
C6 H6 0.9300 .
C19 H19 0.9300 .
C18 H18 0.9300 .
C16 C16 1.516(9) 2_746
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C7 H7 0.9300 .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
N2 C15 1.336(8) .
N2 C13 1.332(9) .
N2 C12 1.456(11) .
C12 C11 1.562(9) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C11 C11 1.50(2) 2_755
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C14 C15 1.403(8) .
C14 H14 0.9300 .
C13 H13 0.9300 .
C15 H15 0.9300 .
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 O5 C10 87.8(3) . .
O3 Cd1 O5 C10 -102.0(3) . .
N1 Cd1 O5 C10 -9.9(4) . .
O2 Cd1 O5 C10 -140.4(3) . .
O5 Cd1 O5 C10 167.8(4) 2_656 .
O6 Cd1 O5 C10 0.8(3) . .
C5 Cd1 O5 C10 -116.0(3) . .
N3 Cd1 O5 Cd1 -80.01(16) . 2_656
O3 Cd1 O5 Cd1 90.14(16) . 2_656
N1 Cd1 O5 Cd1 -177.76(17) . 2_656
O2 Cd1 O5 Cd1 51.7(3) . 2_656
O5 Cd1 O5 Cd1 0.0 2_656 2_656
O6 Cd1 O5 Cd1 -167.0(2) . 2_656
C5 Cd1 O5 Cd1 76.16(19) . 2_656
N3 Cd1 O3 C5 0.8(6) . .
O5 Cd1 O3 C5 -152.8(3) . .
N1 Cd1 O3 C5 79.9(3) . .
O2 Cd1 O3 C5 -2.2(3) . .
O5 Cd1 O3 C5 -83.7(3) 2_656 .
O6 Cd1 O3 C5 155.2(3) . .
N3 Cd1 O2 C5 -176.7(3) . .
O5 Cd1 O2 C5 51.6(4) . .
O3 Cd1 O2 C5 2.2(3) . .
N1 Cd1 O2 C5 -90.7(3) . .
O5 Cd1 O2 C5 99.1(3) 2_656 .
O6 Cd1 O2 C5 -46.7(4) . .
N3 Cd1 O6 C10 -103.3(3) . .
O5 Cd1 O6 C10 -0.8(3) . .
O3 Cd1 O6 C10 86.1(4) . .
N1 Cd1 O6 C10 170.4(4) . .
O2 Cd1 O6 C10 125.2(3) . .
O5 Cd1 O6 C10 -14.8(4) 2_656 .
C5 Cd1 O6 C10 100.2(4) . .
O5 Cd1 N3 C18 -120.7(4) . .
O3 Cd1 N3 C18 86.3(5) . .
N1 Cd1 N3 C18 7.2(4) . .
O2 Cd1 N3 C18 88.8(4) . .
O5 Cd1 N3 C18 172.1(4) 2_656 .
O6 Cd1 N3 C18 -68.7(4) . .
C5 Cd1 N3 C18 86.8(4) . .
O5 Cd1 N3 C19 60.2(4) . .
O3 Cd1 N3 C19 -92.8(5) . .
N1 Cd1 N3 C19 -171.9(4) . .
O2 Cd1 N3 C19 -90.3(4) . .
O5 Cd1 N3 C19 -7.0(4) 2_656 .
O6 Cd1 N3 C19 112.2(4) . .
C5 Cd1 N3 C19 -92.3(4) . .
C18 N4 C17 C16 95.1(6) . .
C20 N4 C17 C16 -77.1(6) . .
Cd1 O3 C5 O2 4.2(6) . .
Cd1 O3 C5 C4 -173.3(4) . .
Cd1 O2 C5 O3 -4.0(5) . .
Cd1 O2 C5 C4 173.7(4) . .
N3 Cd1 C5 O3 -179.6(3) . .
O5 Cd1 C5 O3 31.7(4) . .
N1 Cd1 C5 O3 -98.0(3) . .
O2 Cd1 C5 O3 176.1(5) . .
O5 Cd1 C5 O3 96.7(3) 2_656 .
O6 Cd1 C5 O3 -31.2(4) . .
N3 Cd1 C5 O2 4.3(4) . .
O5 Cd1 C5 O2 -144.5(3) . .
O3 Cd1 C5 O2 -176.1(5) . .
N1 Cd1 C5 O2 85.9(3) . .
O5 Cd1 C5 O2 -79.4(3) 2_656 .
O6 Cd1 C5 O2 152.7(3) . .
N3 Cd1 C5 C4 -94(4) . .
O5 Cd1 C5 C4 117(4) . .
O3 Cd1 C5 C4 86(4) . .
N1 Cd1 C5 C4 -12(4) . .
O2 Cd1 C5 C4 -98(4) . .
O5 Cd1 C5 C4 -178(4) 2_656 .
O6 Cd1 C5 C4 54(4) . .
C18 N4 C20 C19 -1.0(6) . .
C17 N4 C20 C19 172.4(5) . .
Cd1 O6 C10 O5 1.4(5) . .
Cd1 O6 C10 C9 -175.1(5) . .
Cd1 O5 C10 O6 -1.7(6) . .
Cd1 O5 C10 O6 157.3(5) 2_656 .
Cd1 O5 C10 C9 175.1(4) . .
Cd1 O5 C10 C9 -26.0(8) 2_656 .
N3 Cd1 N1 C13 132.3(7) . .
O5 Cd1 N1 C13 -122.3(6) . .
O3 Cd1 N1 C13 -26.1(7) . .
O2 Cd1 N1 C13 28.2(7) . .
O5 Cd1 N1 C13 65.1(9) 2_656 .
O6 Cd1 N1 C13 -131.0(7) . .
C5 Cd1 N1 C13 0.8(7) . .
N3 Cd1 N1 C14 -62.5(7) . .
O5 Cd1 N1 C14 42.9(7) . .
O3 Cd1 N1 C14 139.1(7) . .
O2 Cd1 N1 C14 -166.6(7) . .
O5 Cd1 N1 C14 -129.7(7) 2_656 .
O6 Cd1 N1 C14 34.2(7) . .
C5 Cd1 N1 C14 166.0(7) . .
C4 O1 C3 C1 -169.2(5) . 2_665
C4 O1 C3 C2 9.1(8) . .
C8 O4 C9 C10 170.0(5) . .
O6 C10 C9 O4 -5.9(8) . .
O5 C10 C9 O4 177.3(4) . .
C9 O4 C8 C6 -171.5(5) . 2_767
C9 O4 C8 C7 8.0(9) . .
C3 C1 C2 C3 0.1(8) 2_665 .
C1 C3 C2 C1 -0.1(8) 2_665 .
O1 C3 C2 C1 -178.4(5) . .
N4 C20 C19 N3 0.9(6) . .
C18 N3 C19 C20 -0.5(6) . .
Cd1 N3 C19 C20 178.8(4) . .
C19 N3 C18 N4 -0.1(6) . .
Cd1 N3 C18 N4 -179.4(3) . .
C20 N4 C18 N3 0.7(6) . .
C17 N4 C18 N3 -172.7(4) . .
N4 C17 C16 C16 -174.0(5) . 2_746
C8 C6 C7 C8 -0.2(11) 2_767 .
C6 C8 C7 C6 0.2(10) 2_767 .
O4 C8 C7 C6 -179.3(6) . .
C3 O1 C4 C5 170.6(4) . .
O3 C5 C4 O1 -3.5(7) . .
O2 C5 C4 O1 178.8(5) . .
Cd1 C5 C4 O1 -86(4) . .
C15 N2 C12 C11 80.4(13) . .
C13 N2 C12 C11 -88.7(11) . .
N2 C12 C11 C11 58(2) . 2_755
C13 N1 C14 C15 -9.9(10) . .
Cd1 N1 C14 C15 -178.6(6) . .
C14 N1 C13 N2 6.7(9) . .
Cd1 N1 C13 N2 175.7(5) . .
C15 N2 C13 N1 -2.0(11) . .
C12 N2 C13 N1 168.6(8) . .
C13 N2 C15 C14 -3.7(10) . .
C12 N2 C15 C14 -173.8(8) . .
N1 C14 C15 N2 8.9(11) . .
