#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:29:33 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179633 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/97/4509754.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509754
loop_
_publ_author_name
'Liu, Lin'
'Li, Zifeng'
'Wang, Baolan'
'Li, Gang'
'Wang, Lipeng'
'Meng, Xiangru'
'He, Zhanhang'
_publ_section_title
;
 Polymeric Frameworks Constructed from Bulky Carboxylates and
 4,4′-Bipyridine Linkages: Synthesis, Crystal Structures, and
 Properties
;
_journal_issue                   12
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5244
_journal_paper_doi               10.1021/cg9007747
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C28 H28 Cd N4 O8'
_chemical_formula_weight         660.94
_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                112.89(3)
_cell_angle_beta                 106.86(3)
_cell_angle_gamma                90.30(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4165(19)
_cell_length_b                   11.557(2)
_cell_length_c                   12.647(3)
_cell_measurement_reflns_used    6654
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.1163
_cell_measurement_theta_min      2.7576
_cell_volume                     1202.5(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0184
_diffrn_reflns_av_sigmaI/netI    0.0353
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6983
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    0.974
_exptl_absorpt_correction_T_max  0.8441
_exptl_absorpt_correction_T_min  0.7721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.721
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       0.029(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     387
_refine_ls_number_reflns         4681
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0329
_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)+(0.0784P)²+2.1236P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1176
_refine_ls_wR_factor_ref         0.1198
_reflns_number_gt                4320
_reflns_number_total             4681
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg9007747sup6.cif
_cod_data_source_block           a
_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 2.4.2 from
2011-04-26.

'_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1202.5(4)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4509754
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 0.24998(3) 0.45756(2) 0.49995(2) 0.01942(14) Uani 1 1 d .
N1 N 0.2500(4) 0.2571(3) 0.4998(3) 0.0255(7) Uani 1 1 d .
N2 N 0.2490(4) -0.3425(3) 0.4991(3) 0.0239(7) Uani 1 1 d .
N3 N -0.2636(4) 0.4453(3) 0.1850(3) 0.0289(7) Uani 1 1 d .
H3A H -0.3347 0.4484 0.2156 0.035 Uiso 1 1 calc R
N4 N 0.7629(4) 0.7600(3) 0.8150(3) 0.0292(7) Uani 1 1 d .
H4A H 0.8354 0.7367 0.7863 0.035 Uiso 1 1 calc R
O1 O 0.0694(3) 0.3773(3) 0.3352(2) 0.0260(6) Uani 1 1 d .
O2 O -0.0891(3) 0.5087(2) 0.3936(2) 0.0241(5) Uani 1 1 d .
O3 O -0.1721(4) 0.4948(4) 0.0735(3) 0.0531(10) Uani 1 1 d .
O4 O 0.4308(3) 0.5424(3) 0.6652(2) 0.0271(6) Uani 1 1 d .
O5 O 0.5892(3) 0.6152(3) 0.6062(2) 0.0251(6) Uani 1 1 d .
O6 O 0.6720(4) 0.9213(3) 0.9263(3) 0.0510(9) Uani 1 1 d .
O7 O 0.3586(6) 0.9030(5) 0.8606(4) 0.0585(11) Uani 1 1 d .
O8 O 0.1416(6) 0.5433(5) 0.1394(4) 0.0619(13) Uani 1 1 d .
C1 C -0.0508(4) 0.4235(3) 0.3207(3) 0.0197(7) Uani 1 1 d .
C2 C -0.1516(5) 0.3667(4) 0.2024(4) 0.0301(9) Uani 1 1 d .
H2A H -0.1982 0.2849 0.1886 0.036 Uiso 1 1 calc R
H2B H -0.0979 0.3533 0.1446 0.036 Uiso 1 1 calc R
C3 C -0.2609(5) 0.5095(4) 0.1268(4) 0.0305(9) Uani 1 1 d .
C4 C -0.3656(5) 0.6053(4) 0.1318(4) 0.0307(9) Uani 1 1 d .
C5 C -0.3670(7) 0.6676(5) 0.0674(4) 0.0469(12) Uani 1 1 d .
H5A H -0.3121 0.6453 0.0136 0.056 Uiso 1 1 calc R
C6 C -0.4484(8) 0.7666(6) 0.0769(5) 0.0613(16) Uani 1 1 d .
H6A H -0.4463 0.8097 0.0287 0.074 Uiso 1 1 calc R
C7 C -0.5280(7) 0.8038(6) 0.1489(6) 0.0609(16) Uani 1 1 d .
H7A H -0.5790 0.8737 0.1555 0.073 Uiso 1 1 calc R
C8 C -0.5328(7) 0.7387(6) 0.2110(7) 0.0616(16) Uani 1 1 d .
H8A H -0.5926 0.7583 0.2610 0.074 Uiso 1 1 calc R
C9 C -0.4500(6) 0.6415(5) 0.2030(5) 0.0464(12) Uani 1 1 d .
H9A H -0.4530 0.5978 0.2507 0.056 Uiso 1 1 calc R
C10 C 0.5504(4) 0.6026(3) 0.6793(3) 0.0193(7) Uani 1 1 d .
C11 C 0.6519(5) 0.6644(4) 0.7974(4) 0.0314(9) Uani 1 1 d .
H11A H 0.7022 0.6009 0.8206 0.038 Uiso 1 1 calc R
H11B H 0.5948 0.7025 0.8520 0.038 Uiso 1 1 calc R
C12 C 0.7608(4) 0.8822(4) 0.8730(4) 0.0288(8) Uani 1 1 d .
C13 C 0.8648(5) 0.9736(4) 0.8682(4) 0.0295(8) Uani 1 1 d .
C14 C 0.9498(6) 0.9384(5) 0.7969(5) 0.0443(11) Uani 1 1 d .
H14A H 0.9529 0.8529 0.7535 0.053 Uiso 1 1 calc R
C15 C 1.0315(7) 1.0283(6) 0.7883(7) 0.0598(15) Uani 1 1 d .
H15A H 1.0913 1.0041 0.7383 0.072 Uiso 1 1 calc R
C16 C 1.0287(7) 1.1543(6) 0.8511(6) 0.0589(15) Uani 1 1 d .
H16A H 1.0842 1.2148 0.8423 0.071 Uiso 1 1 calc R
C17 C 0.9487(8) 1.1893(5) 0.9230(6) 0.0598(16) Uani 1 1 d .
H17A H 0.9477 1.2748 0.9675 0.072 Uiso 1 1 calc R
C18 C 0.8672(6) 1.1001(5) 0.9322(4) 0.0448(12) Uani 1 1 d .
H18A H 0.8102 1.1255 0.9843 0.054 Uiso 1 1 calc R
C19 C 0.3262(5) 0.1704(4) 0.4458(4) 0.0342(9) Uani 1 1 d .
H19A H 0.3842 0.1927 0.4066 0.041 Uiso 1 1 calc R
C20 C 0.3272(5) 0.0520(4) 0.4425(4) 0.0341(9) Uani 1 1 d .
H20A H 0.3815 -0.0047 0.4005 0.041 Uiso 1 1 calc R
C21 C 0.2501(5) 0.0189(4) 0.4996(4) 0.0279(8) Uani 1 1 d .
C22 C 0.1728(6) 0.1092(4) 0.5574(4) 0.0350(10) Uani 1 1 d .
H22A H 0.1178 0.0905 0.6004 0.042 Uiso 1 1 calc R
C23 C 0.1739(5) 0.2246(4) 0.5539(4) 0.0332(9) Uani 1 1 d .
H23A H 0.1170 0.2818 0.5924 0.040 Uiso 1 1 calc R
C24 C 0.2495(5) -0.1059(4) 0.5000(4) 0.0264(8) Uani 1 1 d .
C25 C 0.2214(5) -0.2160(4) 0.4020(4) 0.0287(8) Uani 1 1 d .
H25A H 0.1997 -0.2127 0.3267 0.034 Uiso 1 1 calc R
C26 C 0.2225(5) -0.3312(4) 0.4057(4) 0.0286(8) Uani 1 1 d .
H26A H 0.2023 -0.4034 0.3339 0.034 Uiso 1 1 calc R
C27 C 0.2773(5) -0.2375(4) 0.5937(4) 0.0287(8) Uani 1 1 d .
H27A H 0.2992 -0.2438 0.6677 0.034 Uiso 1 1 calc R
C28 C 0.2787(5) -0.1189(4) 0.5973(4) 0.0286(8) Uani 1 1 d .
H28A H 0.3009 -0.0486 0.6707 0.034 Uiso 1 1 calc R
H1W H 0.341(5) 0.945(5) 0.910(5) 0.021(13) Uiso 1 1 d .
H2W H 0.454(8) 0.913(6) 0.879(6) 0.051(18) Uiso 1 1 d .
H3W H 0.056(8) 0.544(6) 0.127(6) 0.047(19) Uiso 1 1 d .
H4W H 0.155(7) 0.537(6) 0.092(6) 0.035(17) Uiso 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'
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
O1 Cd1 O4 178.65(10) . .
O1 Cd1 O2 90.52(10) . 2_566
O4 Cd1 O2 89.48(10) . 2_566
O1 Cd1 O5 88.95(10) . 2_666
O4 Cd1 O5 91.31(11) . 2_666
O2 Cd1 O5 168.49(10) 2_566 2_666
O1 Cd1 N2 92.64(12) . 1_565
O4 Cd1 N2 86.02(12) . 1_565
O2 Cd1 N2 93.19(11) 2_566 1_565
O5 Cd1 N2 98.32(11) 2_666 1_565
O1 Cd1 N1 87.06(12) . .
O4 Cd1 N1 94.28(12) . .
O2 Cd1 N1 86.82(11) 2_566 .
O5 Cd1 N1 81.66(11) 2_666 .
N2 Cd1 N1 179.70(12) 1_565 .
C23 N1 C19 115.7(4) . .
C23 N1 Cd1 120.3(3) . .
C19 N1 Cd1 124.1(3) . .
C26 N2 C27 114.8(4) . .
C26 N2 Cd1 119.9(3) . 1_545
C27 N2 Cd1 125.3(3) . 1_545
C3 N3 C2 121.3(4) . .
C3 N3 H3A 119.3 . .
C2 N3 H3A 119.3 . .
C12 N4 C11 123.6(4) . .
C12 N4 H4A 118.2 . .
C11 N4 H4A 118.2 . .
C1 O1 Cd1 121.9(2) . .
C1 O2 Cd1 140.2(2) . 2_566
C10 O4 Cd1 125.7(2) . .
C10 O5 Cd1 140.4(3) . 2_666
H1W O7 H2W 107(6) . .
H3W O8 H4W 107(8) . .
O2 C1 O1 128.5(4) . .
O2 C1 C2 117.3(4) . .
O1 C1 C2 114.2(3) . .
C1 C2 N3 110.2(3) . .
C1 C2 H2A 109.6 . .
N3 C2 H2A 109.6 . .
C1 C2 H2B 109.6 . .
N3 C2 H2B 109.6 . .
H2A C2 H2B 108.1 . .
O3 C3 N3 119.1(4) . .
O3 C3 C4 123.5(4) . .
N3 C3 C4 117.3(4) . .
C5 C4 C9 115.4(5) . .
C5 C4 C3 117.1(5) . .
C9 C4 C3 127.3(4) . .
C4 C5 C6 120.5(6) . .
C4 C5 H5A 119.7 . .
C6 C5 H5A 119.7 . .
C7 C6 C5 124.0(5) . .
C7 C6 H6A 118.0 . .
C5 C6 H6A 118.0 . .
C8 C7 C6 116.3(6) . .
C8 C7 H7A 121.8 . .
C6 C7 H7A 121.8 . .
C7 C8 C9 119.7(6) . .
C7 C8 H8A 120.1 . .
C9 C8 H8A 120.1 . .
C4 C9 C8 124.0(5) . .
C4 C9 H9A 118.0 . .
C8 C9 H9A 118.0 . .
O5 C10 O4 127.4(4) . .
O5 C10 C11 114.1(4) . .
O4 C10 C11 118.5(3) . .
C10 C11 N4 116.5(3) . .
C10 C11 H11A 108.2 . .
N4 C11 H11A 108.2 . .
C10 C11 H11B 108.2 . .
N4 C11 H11B 108.2 . .
H11A C11 H11B 107.3 . .
O6 C12 N4 121.8(4) . .
O6 C12 C13 118.9(4) . .
N4 C12 C13 119.3(4) . .
C14 C13 C18 118.2(5) . .
C14 C13 C12 122.2(4) . .
C18 C13 C12 119.4(4) . .
C13 C14 C15 118.9(5) . .
C13 C14 H14A 120.6 . .
C15 C14 H14A 120.6 . .
C14 C15 C16 121.6(6) . .
C14 C15 H15A 119.2 . .
C16 C15 H15A 119.2 . .
C17 C16 C15 119.8(5) . .
C17 C16 H16A 120.1 . .
C15 C16 H16A 120.1 . .
C16 C17 C18 118.9(5) . .
C16 C17 H17A 120.5 . .
C18 C17 H17A 120.5 . .
C17 C18 C13 122.6(5) . .
C17 C18 H18A 118.7 . .
C13 C18 H18A 118.7 . .
N1 C19 C20 125.6(4) . .
N1 C19 H19A 117.2 . .
C20 C19 H19A 117.2 . .
C21 C20 C19 118.7(4) . .
C21 C20 H20A 120.6 . .
C19 C20 H20A 120.6 . .
C20 C21 C22 115.9(4) . .
C20 C21 C24 120.6(4) . .
C22 C21 C24 123.6(4) . .
C23 C22 C21 122.2(4) . .
C23 C22 H22A 118.9 . .
C21 C22 H22A 118.9 . .
N1 C23 C22 122.0(4) . .
N1 C23 H23A 119.0 . .
C22 C23 H23A 119.0 . .
C28 C24 C25 113.7(4) . .
C28 C24 C21 120.4(4) . .
C25 C24 C21 125.8(4) . .
C24 C25 C26 124.2(4) . .
C24 C25 H25A 117.9 . .
C26 C25 H25A 117.9 . .
N2 C26 C25 121.5(4) . .
N2 C26 H26A 119.3 . .
C25 C26 H26A 119.3 . .
N2 C27 C28 127.2(4) . .
N2 C27 H27A 116.4 . .
C28 C27 H27A 116.4 . .
C24 C28 C27 118.6(4) . .
C24 C28 H28A 120.7 . .
C27 C28 H28A 120.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O1 2.125(3) .
Cd1 O4 2.133(3) .
Cd1 O2 2.245(3) 2_566
Cd1 O5 2.262(3) 2_666
Cd1 N2 2.314(3) 1_565
Cd1 N1 2.316(3) .
N1 C23 1.267(5) .
N1 C19 1.322(6) .
N2 C26 1.193(5) .
N2 C27 1.288(5) .
N2 Cd1 2.314(3) 1_545
N3 C3 1.236(5) .
N3 C2 1.420(5) .
N3 H3A 0.8600 .
N4 C12 1.318(5) .
N4 C11 1.423(5) .
N4 H4A 0.8600 .
O1 C1 1.250(5) .
O2 C1 1.199(4) .
O2 Cd1 2.245(3) 2_566
O3 C3 1.192(5) .
O4 C10 1.250(5) .
O5 C10 1.145(4) .
O5 Cd1 2.262(3) 2_666
O6 C12 1.205(5) .
O7 H1W 0.69(5) .
O7 H2W 0.86(7) .
O8 H3W 0.78(7) .
O8 H4W 0.62(6) .
C1 C2 1.406(5) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.481(6) .
C4 C5 1.277(6) .
C4 C9 1.320(7) .
C5 C6 1.366(8) .
C5 H5A 0.9300 .
C6 C7 1.292(10) .
C6 H6A 0.9300 .
C7 C8 1.290(9) .
C7 H7A 0.9300 .
C8 C9 1.359(8) .
C8 H8A 0.9300 .
C9 H9A 0.9300 .
C10 C11 1.410(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.466(6) .
C13 C14 1.325(7) .
C13 C18 1.364(6) .
C14 C15 1.347(7) .
C14 H14A 0.9300 .
C15 C16 1.365(9) .
C15 H15A 0.9300 .
C16 C17 1.292(10) .
C16 H16A 0.9300 .
C17 C18 1.343(8) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 C20 1.354(6) .
C19 H19A 0.9300 .
C20 C21 1.308(6) .
C20 H20A 0.9300 .
C21 C22 1.369(6) .
C21 C24 1.445(6) .
C22 C23 1.351(6) .
C22 H22A 0.9300 .
C23 H23A 0.9300 .
C24 C28 1.250(6) .
C24 C25 1.343(6) .
C25 C26 1.350(5) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C27 C28 1.353(5) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O7 H2W O6 0.86(7) 1.95(7) 2.807(6) 174(6) .
O8 H3W O3 0.78(7) 2.06(7) 2.816(7) 165(6) .
N3 H3A O4 0.86 1.94 2.759(4) 158.3 2_566
N4 H4A O1 0.86 2.03 2.836(4) 154.7 2_666
O7 H1W O6 0.69(5) 2.09(5) 2.770(6) 170(6) 2_677
O8 H4W O3 0.62(6) 2.04(6) 2.657(6) 173(8) 2_565
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
O1 Cd1 N1 C23 -92.2(4) .
O4 Cd1 N1 C23 87.8(4) .
O2 Cd1 N1 C23 -1.5(4) 2_566
O5 Cd1 N1 C23 178.5(4) 2_666
N2 Cd1 N1 C23 -94(24) 1_565
O1 Cd1 N1 C19 87.9(4) .
O4 Cd1 N1 C19 -92.2(4) .
O2 Cd1 N1 C19 178.6(4) 2_566
O5 Cd1 N1 C19 -1.5(4) 2_666
N2 Cd1 N1 C19 86(24) 1_565
O4 Cd1 O1 C1 -49(4) .
O2 Cd1 O1 C1 40.7(3) 2_566
O5 Cd1 O1 C1 -150.8(3) 2_666
N2 Cd1 O1 C1 -52.5(3) 1_565
N1 Cd1 O1 C1 127.5(3) .
O1 Cd1 O4 C10 -59(4) .
O2 Cd1 O4 C10 -149.2(3) 2_566
O5 Cd1 O4 C10 42.3(3) 2_666
N2 Cd1 O4 C10 -56.0(3) 1_565
N1 Cd1 O4 C10 124.0(3) .
Cd1 O2 C1 O1 -108.7(5) 2_566
Cd1 O2 C1 C2 71.7(5) 2_566
Cd1 O1 C1 O2 -6.0(5) .
Cd1 O1 C1 C2 173.6(3) .
O2 C1 C2 N3 15.9(5) .
O1 C1 C2 N3 -163.7(3) .
C3 N3 C2 C1 103.9(5) .
C2 N3 C3 O3 8.1(7) .
C2 N3 C3 C4 -169.3(4) .
O3 C3 C4 C5 5.6(7) .
N3 C3 C4 C5 -177.1(5) .
O3 C3 C4 C9 -168.4(5) .
N3 C3 C4 C9 8.9(7) .
C9 C4 C5 C6 1.8(8) .
C3 C4 C5 C6 -173.0(5) .
C4 C5 C6 C7 -0.2(10) .
C5 C6 C7 C8 -2.6(11) .
C6 C7 C8 C9 3.5(11) .
C5 C4 C9 C8 -0.8(9) .
C3 C4 C9 C8 173.4(6) .
C7 C8 C9 C4 -2.0(11) .
Cd1 O5 C10 O4 -103.7(5) 2_666
Cd1 O5 C10 C11 76.9(5) 2_666
Cd1 O4 C10 O5 -6.2(6) .
Cd1 O4 C10 C11 173.2(3) .
O5 C10 C11 N4 17.1(5) .
O4 C10 C11 N4 -162.4(4) .
C12 N4 C11 C10 106.8(5) .
C11 N4 C12 O6 7.9(7) .
C11 N4 C12 C13 -169.4(4) .
O6 C12 C13 C14 -169.7(5) .
N4 C12 C13 C14 7.7(6) .
O6 C12 C13 C18 5.4(6) .
N4 C12 C13 C18 -177.3(4) .
C18 C13 C14 C15 -1.7(8) .
C12 C13 C14 C15 173.5(5) .
C13 C14 C15 C16 0.0(10) .
C14 C15 C16 C17 1.6(11) .
C15 C16 C17 C18 -1.4(10) .
C16 C17 C18 C13 -0.3(9) .
C14 C13 C18 C17 1.9(8) .
C12 C13 C18 C17 -173.4(5) .
C23 N1 C19 C20 1.0(7) .
Cd1 N1 C19 C20 -179.1(4) .
N1 C19 C20 C21 -1.9(8) .
C19 C20 C21 C22 0.7(7) .
C19 C20 C21 C24 -179.2(4) .
C20 C21 C22 C23 1.1(7) .
C24 C21 C22 C23 -179.0(5) .
C19 N1 C23 C22 1.0(7) .
Cd1 N1 C23 C22 -179.0(4) .
C21 C22 C23 N1 -2.1(8) .
C20 C21 C24 C28 128.3(5) .
C22 C21 C24 C28 -51.5(7) .
C20 C21 C24 C25 -50.7(7) .
C22 C21 C24 C25 129.4(5) .
C28 C24 C25 C26 0.6(7) .
C21 C24 C25 C26 179.6(4) .
C27 N2 C26 C25 -0.7(7) .
Cd1 N2 C26 C25 -179.8(3) 1_545
C24 C25 C26 N2 0.2(7) .
C26 N2 C27 C28 0.6(7) .
Cd1 N2 C27 C28 179.6(3) 1_545
C25 C24 C28 C27 -0.7(6) .
C21 C24 C28 C27 -179.8(4) .
N2 C27 C28 C24 0.2(7) .
