#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:04:18 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180410 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/79/7207954.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_7207954
loop_
_publ_author_name
'Li, Lian-Jie'
'Qin, Chao'
'Wang, Xin-Long'
'Shao, Kui-Zhan'
'Su, Zhong-Min'
'Liu, Peng-Jun'
_publ_section_title
;
 Synthesis and characterization of two self-catenated networks and one
 case of pcu topology based on the mixed ligands
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              4205
_journal_paper_doi               10.1039/c2ce06451k
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C26 H20 Cd N4 O8'
_chemical_formula_sum            'C26 H20 Cd N4 O8'
_chemical_formula_weight         628.86
_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                111.843(2)
_cell_angle_beta                 105.938(2)
_cell_angle_gamma                97.104(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3610(19)
_cell_length_b                   12.7130(19)
_cell_length_c                   12.755(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1310.7(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_av_sigmaI/netI    0.1397
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6646
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    0.890
_exptl_absorpt_correction_T_max  0.878
_exptl_absorpt_correction_T_min  0.842
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.619
_refine_diff_density_min         -0.618
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         4520
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.1223
_refine_ls_R_factor_gt           0.0611
_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)+(0.0176P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0947
_refine_ls_wR_factor_ref         0.1074
_reflns_number_gt                2671
_reflns_number_total             4520
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce06451k.txt
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 
;
_cod_original_cell_volume        1310.7(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7207954
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3492(9) 0.7148(6) 0.5956(6) 0.053(2) Uani 1 1 d . . .
H1 H 0.3748 0.6474 0.5529 0.063 Uiso 1 1 calc R . .
C2 C 0.4500(8) 0.8107(7) 0.6886(6) 0.052(2) Uani 1 1 d . . .
H2 H 0.5560 0.8235 0.7198 0.062 Uiso 1 1 calc R . .
C3 C 0.2175(8) 0.8322(6) 0.6538(6) 0.0357(19) Uani 1 1 d . . .
H3 H 0.1351 0.8651 0.6604 0.043 Uiso 1 1 calc R . .
C4 C 0.4209(8) 0.9985(6) 0.8283(6) 0.0372(19) Uani 1 1 d . . .
C5 C 0.5574(8) 1.0694(6) 0.8489(6) 0.044(2) Uani 1 1 d . . .
H5 H 0.6119 1.0436 0.7974 0.053 Uiso 1 1 calc R . .
C6 C 0.6157(8) 1.1790(6) 0.9453(6) 0.046(2) Uani 1 1 d . . .
H6 H 0.7091 1.2268 0.9595 0.055 Uiso 1 1 calc R . .
C7 C 0.5309(9) 1.2159(6) 1.0202(6) 0.043(2) Uani 1 1 d . . .
C8 C 0.3913(8) 1.1450(7) 0.9972(6) 0.051(2) Uani 1 1 d . . .
H8 H 0.3348 1.1709 1.0471 0.062 Uiso 1 1 calc R . .
C9 C 0.3350(8) 1.0364(6) 0.9010(6) 0.042(2) Uani 1 1 d . . .
H9 H 0.2405 0.9891 0.8852 0.051 Uiso 1 1 calc R . .
C10 C 0.7393(9) 1.3768(7) 1.1908(7) 0.053(2) Uani 1 1 d . . .
H10 H 0.8181 1.3425 1.1762 0.063 Uiso 1 1 calc R . .
C11 C 0.5106(10) 1.4044(7) 1.1732(8) 0.080(3) Uani 1 1 d . . .
H11 H 0.4049 1.3952 1.1463 0.096 Uiso 1 1 calc R . .
C12 C 0.6153(10) 1.4958(7) 1.2694(8) 0.069(3) Uani 1 1 d . . .
H12 H 0.5933 1.5606 1.3208 0.083 Uiso 1 1 calc R . .
C13 C -0.1069(8) 0.7908(6) 0.3928(7) 0.043(2) Uani 1 1 d . . .
C14 C -0.1533(8) 0.8915(7) 0.3663(6) 0.051(2) Uani 1 1 d . . .
H14A H -0.0640 0.9389 0.3661 0.061 Uiso 1 1 calc R . .
H14B H -0.2294 0.8588 0.2859 0.061 Uiso 1 1 calc R . .
C16 C -0.3671(9) 0.9271(7) 0.4314(7) 0.044(2) Uani 1 1 d . . .
C17 C -0.4578(10) 0.8181(7) 0.3564(7) 0.057(2) Uani 1 1 d . . .
H17 H -0.4179 0.7614 0.3114 0.069 Uiso 1 1 calc R . .
C18 C -0.4214(7) 1.0145(7) 0.5063(7) 0.040(2) Uani 1 1 d . . .
C19 C -0.3276(9) 1.1274(7) 0.5860(7) 0.047(2) Uani 1 1 d . . .
H19 H -0.2252 1.1466 0.5929 0.057 Uiso 1 1 calc R . .
C20 C -0.3875(9) 1.2091(7) 0.6533(7) 0.053(2) Uani 1 1 d . . .
H20 H -0.3250 1.2836 0.7061 0.064 Uiso 1 1 calc R . .
C21 C 0.1332(8) 0.4165(7) 0.3511(7) 0.042(2) Uani 1 1 d . . .
C22 C 0.1904(9) 0.3076(6) 0.3253(6) 0.060(3) Uani 1 1 d . . .
H22A H 0.3016 0.3288 0.3597 0.072 Uiso 1 1 calc R . .
H22B H 0.1506 0.2622 0.3623 0.072 Uiso 1 1 calc R . .
C24 C 0.0950(8) 0.1185(6) 0.1537(6) 0.0411(19) Uani 1 1 d . . .
C25 C 0.1177(8) 0.0578(7) 0.2227(6) 0.043(2) Uani 1 1 d . . .
H25 H 0.1648 0.0973 0.3059 0.052 Uiso 1 1 calc R . .
C26 C 0.0695(8) -0.0637(7) 0.1672(6) 0.047(2) Uani 1 1 d . . .
H26 H 0.0842 -0.1055 0.2140 0.056 Uiso 1 1 calc R . .
C27 C 0.0010(7) -0.1228(6) 0.0451(6) 0.042(2) Uani 1 1 d . . .
H27 H -0.0290 -0.2042 0.0097 0.050 Uiso 1 1 calc R . .
C28 C 0.0249(8) 0.0618(6) 0.0278(6) 0.0361(18) Uani 1 1 d . . .
Cd1 Cd -0.01485(6) 0.60331(5) 0.42226(5) 0.03815(19) Uani 1 1 d . . .
N1 N 0.2043(6) 0.7303(5) 0.5728(5) 0.0390(16) Uani 1 1 d . . .
N2 N 0.3626(6) 0.8857(5) 0.7276(5) 0.0382(16) Uani 1 1 d . . .
N3 N 0.5894(7) 1.3272(5) 1.1222(5) 0.0473(18) Uani 1 1 d . . .
N4 N 0.7617(7) 1.4783(5) 1.2800(5) 0.0525(18) Uani 1 1 d . . .
O1 O -0.1229(5) 0.7780(4) 0.4805(4) 0.0484(14) Uani 1 1 d . . .
O2 O -0.0510(5) 0.7256(4) 0.3224(4) 0.0504(14) Uani 1 1 d . . .
O3 O 0.1043(6) 0.4546(4) 0.4462(4) 0.0539(15) Uani 1 1 d . . .
O4 O 0.1127(7) 0.4652(5) 0.2830(5) 0.0737(19) Uani 1 1 d . . .
O5 O 0.1424(6) 0.2388(4) 0.1986(4) 0.0580(15) Uani 1 1 d . . .
O6 O -0.2137(6) 0.9654(4) 0.4470(5) 0.0557(15) Uani 1 1 d . . .
O1W O 0.1888(16) 0.4829(14) 0.0950(12) 0.109(5) Uani 0.50 1 d PU A 1
O2W O 0.995(4) 0.417(2) 0.0429(18) 0.269(14) Uani 0.50 1 d PU B 2
O3W O 0.237(3) 0.3869(16) 0.9300(12) 0.207(10) Uani 0.50 1 d PU C 2
O4W O 0.019(3) 0.6463(17) 0.1111(15) 0.218(10) Uani 0.50 1 d PU D 3
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'
Cd Cd -0.8075 1.2024 '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
C2 C1 N1 110.5(6) . .
C2 C1 H1 124.7 . .
N1 C1 H1 124.7 . .
C1 C2 N2 105.2(7) . .
C1 C2 H2 127.4 . .
N2 C2 H2 127.4 . .
N1 C3 N2 112.6(6) . .
N1 C3 H3 123.7 . .
N2 C3 H3 123.7 . .
C5 C4 C9 120.6(7) . .
C5 C4 N2 120.0(6) . .
C9 C4 N2 119.4(6) . .
C4 C5 C6 121.1(7) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
C7 C6 C5 118.3(7) . .
C7 C6 H6 120.9 . .
C5 C6 H6 120.9 . .
C6 C7 C8 120.4(7) . .
C6 C7 N3 119.8(7) . .
C8 C7 N3 119.9(7) . .
C9 C8 C7 120.5(7) . .
C9 C8 H8 119.7 . .
C7 C8 H8 119.7 . .
C8 C9 C4 119.1(7) . .
C8 C9 H9 120.4 . .
C4 C9 H9 120.4 . .
N4 C10 N3 112.9(7) . .
N4 C10 H10 123.6 . .
N3 C10 H10 123.6 . .
C12 C11 N3 107.1(7) . .
C12 C11 H11 126.4 . .
N3 C11 H11 126.4 . .
C11 C12 N4 109.5(7) . .
C11 C12 H12 125.3 . .
N4 C12 H12 125.3 . .
O2 C13 O1 123.7(7) . .
O2 C13 C14 116.3(7) . .
O1 C13 C14 120.0(7) . .
O2 C13 Cd1 58.4(4) . .
O1 C13 Cd1 65.3(4) . .
C14 C13 Cd1 174.7(6) . .
O6 C14 C13 115.9(6) . .
O6 C14 H14A 108.3 . .
C13 C14 H14A 108.3 . .
O6 C14 H14B 108.3 . .
C13 C14 H14B 108.3 . .
H14A C14 H14B 107.4 . .
C17 C16 O6 125.3(7) . .
C17 C16 C18 121.8(8) . .
O6 C16 C18 112.9(7) . .
C16 C17 C20 119.8(7) . 2_476
C16 C17 H17 120.1 . .
C20 C17 H17 120.1 2_476 .
C19 C18 C18 120.3(8) . 2_476
C19 C18 C16 122.4(7) . .
C18 C18 C16 117.2(9) 2_476 .
C20 C19 C18 119.8(7) . .
C20 C19 H19 120.1 . .
C18 C19 H19 120.1 . .
C19 C20 C17 120.9(7) . 2_476
C19 C20 H20 119.6 . .
C17 C20 H20 119.6 2_476 .
O4 C21 O3 121.1(7) . .
O4 C21 C22 123.1(7) . .
O3 C21 C22 115.7(7) . .
O5 C22 C21 110.3(6) . .
O5 C22 H22A 109.6 . .
C21 C22 H22A 109.6 . .
O5 C22 H22B 109.6 . .
C21 C22 H22B 109.6 . .
H22A C22 H22B 108.1 . .
C25 C24 O5 124.2(7) . .
C25 C24 C28 122.0(7) . .
O5 C24 C28 113.8(7) . .
C24 C25 C26 119.3(7) . .
C24 C25 H25 120.4 . .
C26 C25 H25 120.4 . .
C27 C26 C25 120.9(7) . .
C27 C26 H26 119.5 . .
C25 C26 H26 119.5 . .
C26 C27 C28 120.8(7) . 2
C26 C27 H27 119.6 . .
C28 C27 H27 119.6 2 .
C24 C28 C28 118.4(8) . 2
C24 C28 C27 122.9(7) . 2
C28 C28 C27 118.6(8) 2 2
N4 Cd1 N1 177.1(2) 1_444 .
N4 Cd1 O2 87.0(2) 1_444 .
N1 Cd1 O2 94.34(19) . .
N4 Cd1 O3 95.5(2) 1_444 .
N1 Cd1 O3 84.87(19) . .
O2 Cd1 O3 146.23(17) . .
N4 Cd1 O3 84.0(2) 1_444 2_566
N1 Cd1 O3 93.36(19) . 2_566
O2 Cd1 O3 141.06(16) . 2_566
O3 Cd1 O3 72.51(18) . 2_566
N4 Cd1 O1 95.31(19) 1_444 .
N1 Cd1 O1 83.38(18) . .
O2 Cd1 O1 53.71(15) . .
O3 Cd1 O1 157.87(16) . .
O3 Cd1 O1 89.52(16) 2_566 .
N4 Cd1 O4 83.9(2) 1_444 .
N1 Cd1 O4 98.53(19) . .
O2 Cd1 O4 96.72(17) . .
O3 Cd1 O4 50.39(16) . .
O3 Cd1 O4 119.73(17) 2_566 .
O1 Cd1 O4 150.35(17) . .
N4 Cd1 C13 91.0(2) 1_444 .
N1 Cd1 C13 88.9(2) . .
O2 Cd1 C13 27.07(18) . .
O3 Cd1 C13 170.4(2) . .
O3 Cd1 C13 115.3(2) 2_566 .
O1 Cd1 C13 26.64(17) . .
O4 Cd1 C13 123.8(2) . .
C3 N1 C1 105.2(6) . .
C3 N1 Cd1 127.4(5) . .
C1 N1 Cd1 127.4(5) . .
C3 N2 C2 106.5(6) . .
C3 N2 C4 128.4(6) . .
C2 N2 C4 125.1(6) . .
C10 N3 C11 105.7(6) . .
C10 N3 C7 125.2(6) . .
C11 N3 C7 129.1(7) . .
C10 N4 C12 104.8(6) . .
C10 N4 Cd1 129.2(5) . 1_666
C12 N4 Cd1 126.0(5) . 1_666
C13 O1 Cd1 88.1(4) . .
C13 O2 Cd1 94.5(4) . .
C21 O3 Cd1 100.3(5) . .
C21 O3 Cd1 143.3(5) . 2_566
Cd1 O3 Cd1 107.49(18) . 2_566
C21 O4 Cd1 87.8(4) . .
C24 O5 C22 119.1(6) . .
C16 O6 C14 117.7(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.344(9) .
C1 N1 1.362(8) .
C1 H1 0.9300 .
C2 N2 1.374(8) .
C2 H2 0.9300 .
C3 N1 1.287(7) .
C3 N2 1.336(7) .
C3 H3 0.9300 .
C4 C5 1.367(9) .
C4 C9 1.383(8) .
C4 N2 1.434(8) .
C5 C6 1.386(9) .
C5 H5 0.9300 .
C6 C7 1.393(9) .
C6 H6 0.9300 .
C7 C8 1.381(9) .
C7 N3 1.428(8) .
C8 C9 1.376(9) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 N4 1.308(8) .
C10 N3 1.353(8) .
C10 H10 0.9300 .
C11 C12 1.346(10) .
C11 N3 1.379(8) .
C11 H11 0.9300 .
C12 N4 1.394(8) .
C12 H12 0.9300 .
C13 O2 1.255(8) .
C13 O1 1.234(8) .
C13 C14 1.523(9) .
C13 Cd1 2.750(7) .
C14 O6 1.412(7) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C16 C17 1.353(10) .
C16 O6 1.391(8) .
C16 C18 1.422(9) .
C17 C20 1.407(9) 2_476
C17 H17 0.9300 .
C18 C19 1.406(10) .
C18 C18 1.422(13) 2_476
C19 C20 1.369(9) .
C19 H19 0.9300 .
C20 C17 1.407(9) 2_476
C20 H20 0.9300 .
C21 O4 1.230(8) .
C21 O3 1.246(7) .
C21 C22 1.501(9) .
C22 O5 1.425(7) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C24 C25 1.362(9) .
C24 O5 1.380(8) .
C24 C28 1.405(9) .
C25 C26 1.390(9) .
C25 H25 0.9300 .
C26 C27 1.365(8) .
C26 H26 0.9300 .
C27 C28 1.408(9) 2
C27 H27 0.9300 .
C28 C28 1.414(13) 2
C28 C27 1.408(9) 2
Cd1 N4 2.267(6) 1_444
Cd1 N1 2.283(6) .
Cd1 O2 2.350(5) .
Cd1 O3 2.383(5) .
Cd1 O3 2.366(5) 2_566
Cd1 O1 2.500(5) .
Cd1 O4 2.651(5) .
N4 Cd1 2.267(6) 1_666
O3 Cd1 2.366(5) 2_566
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 C1 C2 N2 2.7(9) . .
C9 C4 C5 C6 2.3(11) . .
N2 C4 C5 C6 179.7(6) . .
C4 C5 C6 C7 -0.7(11) . .
C5 C6 C7 C8 -0.9(11) . .
C5 C6 C7 N3 178.5(7) . .
C6 C7 C8 C9 0.9(12) . .
N3 C7 C8 C9 -178.5(6) . .
C7 C8 C9 C4 0.7(11) . .
C5 C4 C9 C8 -2.3(11) . .
N2 C4 C9 C8 -179.7(6) . .
N3 C11 C12 N4 0.6(11) . .
O2 C13 C14 O6 -179.0(6) . .
O1 C13 C14 O6 -0.1(10) . .
Cd1 C13 C14 O6 -180(100) . .
O6 C16 C17 C20 -178.6(6) . 2_476
C18 C16 C17 C20 3.3(12) . 2_476
C17 C16 C18 C19 178.9(7) . .
O6 C16 C18 C19 0.6(10) . .
C17 C16 C18 C18 -4.0(12) . 2_476
O6 C16 C18 C18 177.6(7) . 2_476
C18 C18 C19 C20 1.1(13) 2_476 .
C16 C18 C19 C20 178.1(6) . .
C18 C19 C20 C17 -0.2(11) . 2_476
O4 C21 C22 O5 -30.1(11) . .
O3 C21 C22 O5 148.7(7) . .
O5 C24 C25 C26 -177.9(6) . .
C28 C24 C25 C26 -0.3(11) . .
C24 C25 C26 C27 0.4(11) . .
C25 C26 C27 C28 -1.0(10) . 2
C25 C24 C28 C28 0.8(12) . 2
O5 C24 C28 C28 178.6(7) . 2
C25 C24 C28 C27 179.4(6) . 2
O5 C24 C28 C27 -2.8(10) . 2
O2 C13 Cd1 N4 -81.3(4) . 1_444
O1 C13 Cd1 N4 99.8(4) . 1_444
C14 C13 Cd1 N4 -81(6) . 1_444
O2 C13 Cd1 N1 101.7(4) . .
O1 C13 Cd1 N1 -77.2(4) . .
C14 C13 Cd1 N1 102(6) . .
O1 C13 Cd1 O2 -178.9(7) . .
C14 C13 Cd1 O2 1(5) . .
O2 C13 Cd1 O3 51.9(14) . .
O1 C13 Cd1 O3 -127.0(12) . .
C14 C13 Cd1 O3 52(6) . .
O2 C13 Cd1 O3 -165.1(4) . 2_566
O1 C13 Cd1 O3 16.0(5) . 2_566
C14 C13 Cd1 O3 -165(6) . 2_566
O2 C13 Cd1 O1 178.9(7) . .
C14 C13 Cd1 O1 179(100) . .
O2 C13 Cd1 O4 2.1(5) . .
O1 C13 Cd1 O4 -176.8(4) . .
C14 C13 Cd1 O4 3(6) . .
N2 C3 N1 C1 1.0(8) . .
N2 C3 N1 Cd1 -178.6(4) . .
C2 C1 N1 C3 -2.3(9) . .
C2 C1 N1 Cd1 177.3(5) . .
N4 Cd1 N1 C3 -51(5) 1_444 .
O2 Cd1 N1 C3 65.8(6) . .
O3 Cd1 N1 C3 -148.1(6) . .
O3 Cd1 N1 C3 -76.0(6) 2_566 .
O1 Cd1 N1 C3 13.2(6) . .
O4 Cd1 N1 C3 163.3(6) . .
C13 Cd1 N1 C3 39.3(6) . .
N4 Cd1 N1 C1 130(4) 1_444 .
O2 Cd1 N1 C1 -113.7(6) . .
O3 Cd1 N1 C1 32.4(6) . .
O3 Cd1 N1 C1 104.5(6) 2_566 .
O1 Cd1 N1 C1 -166.4(6) . .
O4 Cd1 N1 C1 -16.2(6) . .
C13 Cd1 N1 C1 -140.2(6) . .
N1 C3 N2 C2 0.6(9) . .
N1 C3 N2 C4 -179.3(6) . .
C1 C2 N2 C3 -2.0(9) . .
C1 C2 N2 C4 178.0(7) . .
C5 C4 N2 C3 -140.7(8) . .
C9 C4 N2 C3 36.7(11) . .
C5 C4 N2 C2 39.4(11) . .
C9 C4 N2 C2 -143.2(7) . .
N4 C10 N3 C11 -0.2(10) . .
N4 C10 N3 C7 -178.9(7) . .
C12 C11 N3 C10 -0.2(10) . .
C12 C11 N3 C7 178.4(8) . .
C6 C7 N3 C10 -35.1(11) . .
C8 C7 N3 C10 144.3(8) . .
C6 C7 N3 C11 146.6(8) . .
C8 C7 N3 C11 -34.0(13) . .
N3 C10 N4 C12 0.6(9) . .
N3 C10 N4 Cd1 -179.0(5) . 1_666
C11 C12 N4 C10 -0.7(10) . .
C11 C12 N4 Cd1 178.9(6) . 1_666
O2 C13 O1 Cd1 -1.1(7) . .
C14 C13 O1 Cd1 -179.9(6) . .
N4 Cd1 O1 C13 -81.7(4) 1_444 .
N1 Cd1 O1 C13 101.0(4) . .
O2 Cd1 O1 C13 0.6(4) . .
O3 Cd1 O1 C13 159.3(5) . .
O3 Cd1 O1 C13 -165.6(4) 2_566 .
O4 Cd1 O1 C13 5.4(6) . .
O1 C13 O2 Cd1 1.2(8) . .
C14 C13 O2 Cd1 -179.9(6) . .
N4 Cd1 O2 C13 98.2(4) 1_444 .
N1 Cd1 O2 C13 -79.1(4) . .
O3 Cd1 O2 C13 -166.4(4) . .
O3 Cd1 O2 C13 21.7(5) 2_566 .
O1 Cd1 O2 C13 -0.6(4) . .
O4 Cd1 O2 C13 -178.2(4) . .
O4 C21 O3 Cd1 7.2(9) . .
C22 C21 O3 Cd1 -171.6(6) . .
O4 C21 O3 Cd1 146.0(6) . 2_566
C22 C21 O3 Cd1 -32.7(12) . 2_566
N4 Cd1 O3 C21 73.7(5) 1_444 .
N1 Cd1 O3 C21 -109.2(5) . .
O2 Cd1 O3 C21 -19.1(6) . .
O3 Cd1 O3 C21 155.6(6) 2_566 .
O1 Cd1 O3 C21 -167.3(5) . .
O4 Cd1 O3 C21 -3.7(4) . .
C13 Cd1 O3 C21 -59.2(14) . .
N4 Cd1 O3 Cd1 -81.9(2) 1_444 2_566
N1 Cd1 O3 Cd1 95.2(2) . 2_566
O2 Cd1 O3 Cd1 -174.7(2) . 2_566
O3 Cd1 O3 Cd1 0.0 2_566 2_566
O1 Cd1 O3 Cd1 37.0(5) . 2_566
O4 Cd1 O3 Cd1 -159.3(3) . 2_566
C13 Cd1 O3 Cd1 145.2(12) . 2_566
O3 C21 O4 Cd1 -6.4(8) . .
C22 C21 O4 Cd1 172.3(7) . .
N4 Cd1 O4 C21 -98.6(5) 1_444 .
N1 Cd1 O4 C21 79.7(5) . .
O2 Cd1 O4 C21 175.2(5) . .
O3 Cd1 O4 C21 3.7(4) . .
O3 Cd1 O4 C21 -19.1(5) 2_566 .
O1 Cd1 O4 C21 171.3(4) . .
C13 Cd1 O4 C21 174.2(5) . .
C25 C24 O5 C22 -13.1(10) . .
C28 C24 O5 C22 169.1(6) . .
C21 C22 O5 C24 -140.3(7) . .
C17 C16 O6 C14 9.9(11) . .
C18 C16 O6 C14 -171.8(6) . .
C13 C14 O6 C16 -80.3(8) . .
