#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/84/7208476.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_7208476
loop_
_publ_author_name
'Zhang, Yun-Xue'
'Yang, Jin'
'Kan, Wei-Qiu'
'Ma, Jian-Fang'
_publ_section_title
;
 A series of coordination polymers based on flexible
 5-carboxy-1-(4′-carboxybenzyl)-2-oxidopyridinium and structurally
 related N-donor ligands: syntheses, structures and photoluminescent
 properties
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              6004
_journal_paper_doi               10.1039/c2ce25439e
_journal_volume                  14
_journal_year                    2012
_chemical_formula_moiety         'C52 H42 Cd2 N6 O14'
_chemical_formula_sum            'C52 H42 Cd2 N6 O14'
_chemical_formula_weight         1199.72
_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                100.202(4)
_cell_angle_beta                 94.958(4)
_cell_angle_gamma                98.558(4)
_cell_formula_units_Z            1
_cell_length_a                   5.5430(3)
_cell_length_b                   14.5900(7)
_cell_length_c                   14.9350(7)
_cell_measurement_reflns_used    3913
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      1.00000
_cell_measurement_theta_min      0.95092
_cell_volume                     1167.58(10)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_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  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0462
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6913
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.95
_exptl_absorpt_coefficient_mu    0.990
_exptl_absorpt_correction_T_max  0.835
_exptl_absorpt_correction_T_min  0.766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.706
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             604
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.611
_refine_diff_density_min         -0.448
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4115
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0327P)²+0.2013P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0708
_refine_ls_wR_factor_ref         0.0748
_reflns_number_gt                3670
_reflns_number_total             4115
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2ce25439e.txt
_cod_data_source_block           Compound-5
_cod_original_sg_symbol_Hall     '-p 1'
_cod_original_sg_symbol_H-M      'p -1'
_cod_database_code               7208476
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
Cd1 Cd 0.76658(4) 0.215427(16) 0.737220(15) 0.02976(10) Uani 1 1 d . . .
C1 C 0.1900(6) 0.7136(2) 0.4163(2) 0.0315(7) Uani 1 1 d . . .
C2 C 0.1457(5) 0.6723(2) 0.4996(2) 0.0292(7) Uani 1 1 d . . .
C3 C -0.0824(6) 0.6221(2) 0.5068(2) 0.0345(8) Uani 1 1 d . . .
H3 H -0.2091 0.6143 0.4597 0.041 Uiso 1 1 calc R . .
C4 C -0.1234(6) 0.5837(2) 0.5833(2) 0.0355(8) Uani 1 1 d . . .
H4 H -0.2782 0.5511 0.5875 0.043 Uiso 1 1 calc R . .
C5 C 0.0635(5) 0.5932(2) 0.6539(2) 0.0288(7) Uani 1 1 d . . .
C6 C 0.2907(6) 0.6425(2) 0.6465(2) 0.0343(8) Uani 1 1 d . . .
H6 H 0.4179 0.6492 0.6933 0.041 Uiso 1 1 calc R . .
C7 C 0.3324(6) 0.6826(2) 0.5703(2) 0.0339(8) Uani 1 1 d . . .
H7 H 0.4861 0.7165 0.5667 0.041 Uiso 1 1 calc R . .
C8 C 0.0054(5) 0.5499(2) 0.7356(2) 0.0340(8) Uani 1 1 d . . .
H8A H -0.1163 0.5815 0.7656 0.041 Uiso 1 1 calc R . .
H8B H -0.0673 0.4840 0.7141 0.041 Uiso 1 1 calc R . .
C9 C 0.2892(6) 0.6386(2) 0.8673(2) 0.0371(8) Uani 1 1 d . . .
C10 C 0.3325(5) 0.4786(2) 0.8013(2) 0.0296(7) Uani 1 1 d . . .
H10 H 0.2732 0.4239 0.7581 0.035 Uiso 1 1 calc R . .
C11 C 0.5328(5) 0.4808(2) 0.8616(2) 0.0269(7) Uani 1 1 d . . .
C12 C 0.6206(6) 0.5653(2) 0.9262(2) 0.0348(8) Uani 1 1 d . . .
H12 H 0.7609 0.5692 0.9666 0.042 Uiso 1 1 calc R . .
C13 C 0.5024(6) 0.6401(2) 0.9296(2) 0.0407(8) Uani 1 1 d . . .
H13 H 0.5609 0.6943 0.9737 0.049 Uiso 1 1 calc R . .
C14 C 0.6625(6) 0.3975(2) 0.8567(2) 0.0303(7) Uani 1 1 d . . .
C15 C 0.4448(6) 0.0810(3) 0.8531(2) 0.0408(8) Uani 1 1 d . . .
H15 H 0.3738 0.1343 0.8706 0.049 Uiso 1 1 calc R . .
C16 C 0.3722(7) 0.0022(3) 0.8894(3) 0.0495(10) Uani 1 1 d . . .
H16 H 0.2539 0.0024 0.9300 0.059 Uiso 1 1 calc R . .
C17 C 0.4762(7) -0.0760(3) 0.8651(3) 0.0538(10) Uani 1 1 d . . .
H17 H 0.4296 -0.1296 0.8893 0.065 Uiso 1 1 calc R . .
C18 C 0.6527(6) -0.0759(2) 0.8039(2) 0.0427(9) Uani 1 1 d . . .
C19 C 0.7683(8) -0.1560(3) 0.7735(3) 0.0583(11) Uani 1 1 d . . .
H19 H 0.7274 -0.2109 0.7961 0.070 Uiso 1 1 calc R . .
C20 C 0.9332(8) -0.1533(3) 0.7134(3) 0.0593(12) Uani 1 1 d . . .
H20 H 1.0047 -0.2063 0.6952 0.071 Uiso 1 1 calc R . .
C21 C 1.0014(6) -0.0709(3) 0.6770(3) 0.0451(9) Uani 1 1 d . . .
C22 C 1.1809(7) -0.0629(3) 0.6152(3) 0.0592(12) Uani 1 1 d . . .
H22 H 1.2542 -0.1146 0.5938 0.071 Uiso 1 1 calc R . .
C23 C 1.2455(7) 0.0201(3) 0.5876(3) 0.0549(11) Uani 1 1 d . . .
H23 H 1.3642 0.0258 0.5476 0.066 Uiso 1 1 calc R . .
C24 C 1.1325(6) 0.0965(3) 0.6195(2) 0.0435(9) Uani 1 1 d . . .
H24 H 1.1787 0.1533 0.6005 0.052 Uiso 1 1 calc R . .
C25 C 0.8964(6) 0.0101(2) 0.7053(2) 0.0332(8) Uani 1 1 d . . .
C26 C 0.7155(6) 0.0065(2) 0.7692(2) 0.0317(7) Uani 1 1 d . . .
N1 N 0.2164(5) 0.55501(18) 0.80284(17) 0.0313(6) Uani 1 1 d . . .
N2 N 0.6111(5) 0.08453(18) 0.79423(17) 0.0321(6) Uani 1 1 d . . .
N3 N 0.9624(4) 0.09167(19) 0.67577(17) 0.0321(6) Uani 1 1 d . . .
O1 O 0.3773(4) 0.77370(18) 0.41725(16) 0.0431(6) Uani 1 1 d . . .
O2 O 0.0324(4) 0.68659(17) 0.34689(15) 0.0428(6) Uani 1 1 d . . .
O3 O 0.1733(5) 0.70480(17) 0.86542(18) 0.0528(7) Uani 1 1 d . . .
O4 O 0.8714(4) 0.41030(17) 0.89774(16) 0.0452(6) Uani 1 1 d . . .
O5 O 0.5499(4) 0.31914(15) 0.80768(15) 0.0340(5) Uani 1 1 d . . .
O1W O 1.0902(4) 0.26493(16) 0.85596(14) 0.0366(5) Uani 1 1 d . . .
O2W O 1.030(6) 0.1564(11) 1.0059(12) 0.053(6) Uani 0.45(9) 1 d PU A 1
O2W' O 0.959(7) 0.1578(13) 0.9987(12) 0.080(4) Uani 0.55(9) 1 d PU A 2
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
O5 Cd1 O2 97.30(8) . 2_666
O5 Cd1 N2 99.02(8) . .
O2 Cd1 N2 163.37(9) 2_666 .
O5 Cd1 N3 171.49(9) . .
O2 Cd1 N3 91.21(9) 2_666 .
N2 Cd1 N3 72.48(9) . .
O5 Cd1 O1W 90.64(8) . .
O2 Cd1 O1W 89.59(8) 2_666 .
N2 Cd1 O1W 93.41(8) . .
N3 Cd1 O1W 89.56(8) . .
O5 Cd1 O1 96.36(8) . 2_666
O2 Cd1 O1 55.57(8) 2_666 2_666
N2 Cd1 O1 119.01(9) . 2_666
N3 Cd1 O1 88.31(8) . 2_666
O1W Cd1 O1 145.02(8) . 2_666
O5 Cd1 C1 98.02(8) . 2_666
O2 Cd1 C1 27.86(9) 2_666 2_666
N2 Cd1 C1 144.44(10) . 2_666
N3 Cd1 C1 89.42(9) . 2_666
O1W Cd1 C1 117.38(9) . 2_666
O1 Cd1 C1 27.71(9) 2_666 2_666
O1 C1 O2 122.0(3) . .
O1 C1 C2 120.2(3) . .
O2 C1 C2 117.8(3) . .
O1 C1 Cd1 63.71(17) . 2_666
O2 C1 Cd1 58.25(16) . 2_666
C2 C1 Cd1 175.7(2) . 2_666
C7 C2 C3 118.8(3) . .
C7 C2 C1 120.6(3) . .
C3 C2 C1 120.6(3) . .
C4 C3 C2 120.7(3) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C3 C4 C5 120.7(3) . .
C3 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
C6 C5 C4 118.7(3) . .
C6 C5 C8 123.4(3) . .
C4 C5 C8 117.9(3) . .
C5 C6 C7 120.9(3) . .
C5 C6 H6 119.5 . .
C7 C6 H6 119.5 . .
C2 C7 C6 120.2(3) . .
C2 C7 H7 119.9 . .
C6 C7 H7 119.9 . .
N1 C8 C5 114.6(3) . .
N1 C8 H8A 108.6 . .
C5 C8 H8A 108.6 . .
N1 C8 H8B 108.6 . .
C5 C8 H8B 108.6 . .
H8A C8 H8B 107.6 . .
O3 C9 N1 119.3(3) . .
O3 C9 C13 125.6(3) . .
N1 C9 C13 115.0(3) . .
C11 C10 N1 121.5(3) . .
C11 C10 H10 119.3 . .
N1 C10 H10 119.3 . .
C10 C11 C12 118.2(3) . .
C10 C11 C14 120.6(3) . .
C12 C11 C14 121.2(3) . .
C13 C12 C11 120.6(3) . .
C13 C12 H12 119.7 . .
C11 C12 H12 119.7 . .
C12 C13 C9 121.9(3) . .
C12 C13 H13 119.0 . .
C9 C13 H13 119.0 . .
O4 C14 O5 125.3(3) . .
O4 C14 C11 117.5(3) . .
O5 C14 C11 117.1(3) . .
N2 C15 C16 123.3(3) . .
N2 C15 H15 118.4 . .
C16 C15 H15 118.4 . .
C17 C16 C15 119.0(3) . .
C17 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
C16 C17 C18 120.1(3) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C17 C18 C26 117.6(3) . .
C17 C18 C19 123.6(4) . .
C26 C18 C19 118.7(4) . .
C20 C19 C18 121.6(4) . .
C20 C19 H19 119.2 . .
C18 C19 H19 119.2 . .
C19 C20 C21 121.2(4) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C25 C21 C20 119.7(4) . .
C25 C21 C22 116.6(4) . .
C20 C21 C22 123.7(4) . .
C23 C22 C21 120.0(3) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 119.4(4) . .
C22 C23 H23 120.3 . .
C24 C23 H23 120.3 . .
N3 C24 C23 122.5(4) . .
N3 C24 H24 118.7 . .
C23 C24 H24 118.7 . .
N3 C25 C21 122.1(3) . .
N3 C25 C26 118.9(3) . .
C21 C25 C26 119.0(3) . .
N2 C26 C18 121.8(3) . .
N2 C26 C25 118.3(3) . .
C18 C26 C25 119.8(3) . .
C10 N1 C9 122.7(3) . .
C10 N1 C8 119.4(3) . .
C9 N1 C8 117.8(2) . .
C15 N2 C26 118.2(3) . .
C15 N2 Cd1 126.2(2) . .
C26 N2 Cd1 115.5(2) . .
C24 N3 C25 119.4(3) . .
C24 N3 Cd1 125.9(2) . .
C25 N3 Cd1 114.68(19) . .
C1 O1 Cd1 88.58(19) . 2_666
C1 O2 Cd1 93.9(2) . 2_666
C14 O5 Cd1 119.68(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O5 2.2439(19) .
Cd1 O2 2.295(2) 2_666
Cd1 N2 2.308(3) .
Cd1 N3 2.335(2) .
Cd1 O1W 2.344(2) .
Cd1 O1 2.415(2) 2_666
Cd1 C1 2.693(3) 2_666
C1 O1 1.253(4) .
C1 O2 1.261(4) .
C1 C2 1.499(4) .
C1 Cd1 2.693(3) 2_666
C2 C7 1.383(4) .
C2 C3 1.386(4) .
C3 C4 1.380(4) .
C3 H3 0.9300 .
C4 C5 1.386(4) .
C4 H4 0.9300 .
C5 C6 1.378(4) .
C5 C8 1.507(4) .
C6 C7 1.391(4) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 N1 1.459(4) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 O3 1.239(4) .
C9 N1 1.396(4) .
C9 C13 1.435(5) .
C10 C11 1.360(4) .
C10 N1 1.365(4) .
C10 H10 0.9300 .
C11 C12 1.416(4) .
C11 C14 1.495(4) .
C12 C13 1.351(4) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C14 O4 1.235(4) .
C14 O5 1.282(4) .
C15 N2 1.329(4) .
C15 C16 1.378(5) .
C15 H15 0.9300 .
C16 C17 1.360(5) .
C16 H16 0.9300 .
C17 C18 1.396(5) .
C17 H17 0.9300 .
C18 C26 1.401(5) .
C18 C19 1.437(5) .
C19 C20 1.336(6) .
C19 H19 0.9300 .
C20 C21 1.419(6) .
C20 H20 0.9300 .
C21 C25 1.409(4) .
C21 C22 1.420(6) .
C22 C23 1.356(6) .
C22 H22 0.9300 .
C23 C24 1.391(5) .
C23 H23 0.9300 .
C24 N3 1.318(4) .
C24 H24 0.9300 .
C25 N3 1.353(4) .
C25 C26 1.444(5) .
C26 N2 1.362(4) .
O1 Cd1 2.415(2) 2_666
O2 Cd1 2.295(2) 2_666
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
O1 C1 C2 C7 -14.7(4) . .
O2 C1 C2 C7 166.0(3) . .
O1 C1 C2 C3 166.0(3) . .
O2 C1 C2 C3 -13.3(4) . .
C7 C2 C3 C4 0.4(5) . .
C1 C2 C3 C4 179.8(3) . .
C2 C3 C4 C5 -1.0(5) . .
C3 C4 C5 C6 0.6(5) . .
C3 C4 C5 C8 179.7(3) . .
C4 C5 C6 C7 0.3(5) . .
C8 C5 C6 C7 -178.7(3) . .
C3 C2 C7 C6 0.5(5) . .
C1 C2 C7 C6 -178.8(3) . .
C5 C6 C7 C2 -0.9(5) . .
C6 C5 C8 N1 -6.5(4) . .
C4 C5 C8 N1 174.5(3) . .
N1 C10 C11 C12 -0.5(4) . .
N1 C10 C11 C14 -177.8(3) . .
C10 C11 C12 C13 2.4(5) . .
C14 C11 C12 C13 179.7(3) . .
C11 C12 C13 C9 -1.7(5) . .
O3 C9 C13 C12 -178.9(3) . .
N1 C9 C13 C12 -0.7(5) . .
C10 C11 C14 O4 163.7(3) . .
C12 C11 C14 O4 -13.6(4) . .
C10 C11 C14 O5 -14.3(4) . .
C12 C11 C14 O5 168.5(3) . .
N2 C15 C16 C17 0.6(6) . .
C15 C16 C17 C18 -0.3(6) . .
C16 C17 C18 C26 -0.2(5) . .
C16 C17 C18 C19 -178.9(3) . .
C17 C18 C19 C20 178.7(4) . .
C26 C18 C19 C20 0.1(6) . .
C18 C19 C20 C21 0.0(6) . .
C19 C20 C21 C25 0.9(6) . .
C19 C20 C21 C22 178.0(4) . .
C25 C21 C22 C23 0.9(5) . .
C20 C21 C22 C23 -176.3(4) . .
C21 C22 C23 C24 -0.6(6) . .
C22 C23 C24 N3 -0.4(6) . .
C20 C21 C25 N3 177.1(3) . .
C22 C21 C25 N3 -0.2(5) . .
C20 C21 C25 C26 -1.8(5) . .
C22 C21 C25 C26 -179.0(3) . .
C17 C18 C26 N2 0.5(5) . .
C19 C18 C26 N2 179.3(3) . .
C17 C18 C26 C25 -179.7(3) . .
C19 C18 C26 C25 -1.0(5) . .
N3 C25 C26 N2 2.7(4) . .
C21 C25 C26 N2 -178.4(3) . .
N3 C25 C26 C18 -177.1(3) . .
C21 C25 C26 C18 1.8(5) . .
C11 C10 N1 C9 -2.1(5) . .
C11 C10 N1 C8 178.7(3) . .
O3 C9 N1 C10 -179.0(3) . .
C13 C9 N1 C10 2.6(4) . .
O3 C9 N1 C8 0.2(4) . .
C13 C9 N1 C8 -178.1(3) . .
C5 C8 N1 C10 -98.0(3) . .
C5 C8 N1 C9 82.8(3) . .
C16 C15 N2 C26 -0.4(5) . .
C16 C15 N2 Cd1 -175.3(3) . .
C18 C26 N2 C15 -0.2(5) . .
C25 C26 N2 C15 -180.0(3) . .
C18 C26 N2 Cd1 175.2(2) . .
C25 C26 N2 Cd1 -4.5(3) . .
O5 Cd1 N2 C15 -1.2(3) . .
O2 Cd1 N2 C15 -169.9(3) 2_666 .
N3 Cd1 N2 C15 178.5(3) . .
O1W Cd1 N2 C15 90.0(3) . .
O1 Cd1 N2 C15 -103.6(3) 2_666 .
C1 Cd1 N2 C15 -118.9(3) 2_666 .
O5 Cd1 N2 C26 -176.2(2) . .
O2 Cd1 N2 C26 15.0(4) 2_666 .
N3 Cd1 N2 C26 3.5(2) . .
O1W Cd1 N2 C26 -85.0(2) . .
O1 Cd1 N2 C26 81.3(2) 2_666 .
C1 Cd1 N2 C26 66.1(3) 2_666 .
C23 C24 N3 C25 1.1(5) . .
C23 C24 N3 Cd1 178.3(2) . .
C21 C25 N3 C24 -0.8(5) . .
C26 C25 N3 C24 178.1(3) . .
C21 C25 N3 Cd1 -178.3(2) . .
C26 C25 N3 Cd1 0.6(4) . .
O2 Cd1 N3 C24 3.9(3) 2_666 .
N2 Cd1 N3 C24 -179.4(3) . .
O1W Cd1 N3 C24 -85.7(3) . .
O1 Cd1 N3 C24 59.4(3) 2_666 .
C1 Cd1 N3 C24 31.7(3) 2_666 .
O2 Cd1 N3 C25 -178.8(2) 2_666 .
N2 Cd1 N3 C25 -2.1(2) . .
O1W Cd1 N3 C25 91.6(2) . .
O1 Cd1 N3 C25 -123.3(2) 2_666 .
C1 Cd1 N3 C25 -151.0(2) 2_666 .
O2 C1 O1 Cd1 1.1(3) . 2_666
C2 C1 O1 Cd1 -178.1(2) . 2_666
O1 C1 O2 Cd1 -1.2(3) . 2_666
C2 C1 O2 Cd1 178.1(2) . 2_666
O4 C14 O5 Cd1 -28.6(4) . .
C11 C14 O5 Cd1 149.2(2) . .
O2 Cd1 O5 C14 -58.1(2) 2_666 .
N2 Cd1 O5 C14 125.1(2) . .
O1W Cd1 O5 C14 31.6(2) . .
O1 Cd1 O5 C14 -114.1(2) 2_666 .
C1 Cd1 O5 C14 -86.2(2) 2_666 .
