#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:48:34 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180519 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/88/7218891.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_7218891
loop_
_publ_author_name
'Lü, Chun-Ning'
'Chen, Min-Min'
'Zhang, Wen-Hua'
'Li, Duan-Xiu'
'Dai, Ming'
'Lang, Jian-Ping'
_publ_section_title
;
 Construction of Zn(ii) and Cd(ii) metal--organic frameworks of
 diimidazole and dicarboxylate mixed ligands for the catalytic
 photodegradation of rhodamine B in water
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              1935
_journal_paper_doi               10.1039/C4CE02074J
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C28 H22 Cd N4 O4'
_chemical_formula_sum            'C28 H22 Cd N4 O4'
_chemical_formula_weight         590.89
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-11-15 # Formatted by publCIF

;
_cell_angle_alpha                92.16(3)
_cell_angle_beta                 100.28(3)
_cell_angle_gamma                92.65(3)
_cell_formula_units_Z            2
_cell_length_a                   10.362(2)
_cell_length_b                   10.649(2)
_cell_length_c                   11.096(2)
_cell_measurement_reflns_used    4685
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.4778
_cell_measurement_theta_min      3.1461
_cell_volume                     1202.1(4)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Rigaku MercuryCCD area detector'
_diffrn_measurement_method       dtprofit.ref
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_Laue_measured_fraction_full 0.959
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9676
_diffrn_reflns_point_group_measured_fraction_full 0.959
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         3.146
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.952
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, (Sheldrick 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_description       block
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   0.909
_exptl_transmission_factor_min   0.796
_refine_diff_density_max         1.469
_refine_diff_density_min         -1.312
_refine_diff_density_rms         0.228
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.139
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         4725
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.139
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0473
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.1680P)²+1.7906P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1947
_refine_ls_wR_factor_ref         0.2257
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4316
_reflns_number_total             4725
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4ce02074j2.cif
_cod_data_source_block           Cpx3
_cod_depositor_comments
'Adding full bibliography for 7218889--7218892.cif.'
_cod_database_code               7218891
#BEGIN Tags that were not found in dictionaries:
_publcif_datablock.id            {fd630064-4f15-496e-b33b-8d7f2dda020f}
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.702
_shelx_estimated_absorpt_t_max   0.911
_shelxl_version_number           2013-2
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Cd1 Cd 0.66120(3) 0.61972(3) 0.54416(3) 0.0256(2) Uani 1 1 d . .
O1 O 0.8933(5) 0.6025(5) 0.5404(5) 0.0429(12) Uani 1 1 d . .
O2 O 0.8248(4) 0.7816(4) 0.6021(5) 0.0413(11) Uani 1 1 d . .
O3 O 1.3848(5) 0.5742(5) 0.5539(5) 0.0425(11) Uani 1 1 d . .
O4 O 1.5089(4) 0.7506(4) 0.5922(5) 0.0383(10) Uani 1 1 d . .
N1 N 0.7091(5) 0.5147(5) 0.7251(5) 0.0331(11) Uani 1 1 d . .
N2 N 0.8185(6) 0.3844(5) 0.8496(5) 0.0372(12) Uani 1 1 d . .
N3 N 1.5074(5) -0.1837(5) 1.2088(5) 0.0333(7) Uani 1 1 d . .
N4 N 1.6091(5) -0.3034(5) 1.3466(5) 0.0333(7) Uani 1 1 d . .
C1 C 0.8040(6) 0.4356(6) 0.7378(6) 0.0356(14) Uani 1 1 d . .
H1A H 0.8547 0.4170 0.6778 0.043 Uiso 1 1 calc R U
C2 C 0.6582(7) 0.5139(6) 0.8314(6) 0.0346(14) Uani 1 1 d . .
C3 C 0.7276(8) 0.4352(7) 0.9101(7) 0.0397(15) Uani 1 1 d . .
H3A H 0.7152 0.4190 0.9901 0.048 Uiso 1 1 calc R U
C4 C 0.9173(7) 0.3006(6) 0.8983(6) 0.0364(14) Uani 1 1 d . .
C5 C 0.9485(7) 0.2033(7) 0.8280(6) 0.0421(16) Uani 1 1 d . .
H5A H 0.9045 0.1899 0.7465 0.051 Uiso 1 1 calc R U
C6 C 1.0454(7) 0.1236(7) 0.8761(6) 0.0410(15) Uani 1 1 d . .
H6A H 1.0657 0.0566 0.8264 0.049 Uiso 1 1 calc R U
C7 C 1.1124(6) 0.1409(6) 0.9957(6) 0.0348(13) Uani 1 1 d . .
C8 C 1.0778(8) 0.2416(8) 1.0670(7) 0.0465(18) Uani 1 1 d . .
H8A H 1.1206 0.2556 1.1489 0.056 Uiso 1 1 calc R U
C9 C 0.9814(9) 0.3203(8) 1.0182(7) 0.0486(18) Uani 1 1 d . .
H9A H 0.9595 0.3875 1.0668 0.058 Uiso 1 1 calc R U
C10 C 1.2172(6) 0.0558(6) 1.0488(6) 0.0336(13) Uani 1 1 d . .
C11 C 1.2697(8) -0.0296(7) 0.9761(6) 0.0452(17) Uani 1 1 d . .
H11A H 1.2397 -0.0344 0.8909 0.054 Uiso 1 1 calc R U
C12 C 1.3661(8) -0.1084(7) 1.0273(6) 0.0410(15) Uani 1 1 d . .
H12A H 1.4008 -0.1662 0.9772 0.049 Uiso 1 1 calc R U
C13 C 1.4102(6) -0.1010(6) 1.1521(6) 0.0327(13) Uani 1 1 d . .
C14 C 1.3622(7) -0.0156(7) 1.2268(7) 0.0394(15) Uani 1 1 d . .
H14A H 1.3944 -0.0099 1.3116 0.047 Uiso 1 1 calc R U
C15 C 1.2646(7) 0.0628(7) 1.1743(7) 0.0420(15) Uani 1 1 d . .
H15A H 1.2308 0.1210 1.2247 0.050 Uiso 1 1 calc R U
C16 C 1.5161(7) -0.2270(6) 1.3232(6) 0.0333(7) Uani 1 1 d . .
H16A H 1.4613 -0.2040 1.3784 0.040 Uiso 1 1 calc R U
C17 C 1.6053(7) -0.2392(6) 1.1589(6) 0.0364(14) Uani 1 1 d . .
H17A H 1.6244 -0.2282 1.0801 0.044 Uiso 1 1 calc R U
C18 C 1.6678(7) -0.3120(6) 1.2448(6) 0.0351(14) Uani 1 1 d . .
C19 C 0.5488(8) 0.5943(8) 0.8525(7) 0.0463(17) Uani 1 1 d . .
H19A H 0.5439 0.5979 0.9390 0.069 Uiso 1 1 calc R U
H19B H 0.4664 0.5586 0.8056 0.069 Uiso 1 1 calc R U
H19C H 0.5652 0.6786 0.8265 0.069 Uiso 1 1 calc R U
C20 C 1.7807(8) -0.3935(8) 1.2378(7) 0.0459(17) Uani 1 1 d . .
H20A H 1.7581 -0.4783 1.2586 0.069 Uiso 1 1 calc R U
H20B H 1.8575 -0.3599 1.2950 0.069 Uiso 1 1 calc R U
H20C H 1.7996 -0.3949 1.1552 0.069 Uiso 1 1 calc R U
C21 C 0.9140(5) 0.7158(6) 0.5765(5) 0.0294(12) Uani 1 1 d . .
C22 C 1.3990(5) 0.6907(6) 0.5764(6) 0.0301(12) Uani 1 1 d . .
C23 C 1.0494(5) 0.7768(5) 0.5885(5) 0.0269(11) Uani 1 1 d . .
C24 C 1.1564(5) 0.7062(5) 0.5772(5) 0.0264(11) Uani 1 1 d . .
H24A H 1.1447 0.6184 0.5637 0.032 Uiso 1 1 calc R U
C25 C 1.2814(5) 0.7649(6) 0.5860(5) 0.0279(11) Uani 1 1 d . .
C26 C 1.2971(6) 0.8954(6) 0.6058(7) 0.0392(15) Uani 1 1 d . .
H26A H 1.3813 0.9351 0.6135 0.047 Uiso 1 1 calc R U
C27 C 1.1902(7) 0.9676(6) 0.6144(8) 0.0461(18) Uani 1 1 d . .
H27A H 1.2006 1.0558 0.6232 0.055 Uiso 1 1 calc R U
C28 C 1.0677(6) 0.9068(6) 0.6096(6) 0.0345(13) Uani 1 1 d . .
H28A H 0.9960 0.9541 0.6209 0.041 Uiso 1 1 calc R U
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
O4 Cd1 O3 125.10(17) 1_455 2_766
O4 Cd1 N1 100.39(19) 1_455 .
O3 Cd1 N1 86.9(2) 2_766 .
O4 Cd1 O2 89.58(16) 1_455 .
O3 Cd1 O2 144.32(17) 2_766 .
N1 Cd1 O2 95.4(2) . .
O4 Cd1 N4 85.14(19) 1_455 1_464
O3 Cd1 N4 84.8(2) 2_766 1_464
N1 Cd1 N4 171.61(19) . 1_464
O2 Cd1 N4 90.9(2) . 1_464
O4 Cd1 O1 144.20(17) 1_455 .
O3 Cd1 O1 90.47(18) 2_766 .
N1 Cd1 O1 83.9(2) . .
O2 Cd1 O1 54.62(16) . .
N4 Cd1 O1 95.3(2) 1_464 .
O4 Cd1 C21 116.86(18) 1_455 .
O3 Cd1 C21 117.42(18) 2_766 .
N1 Cd1 C21 90.39(19) . .
O2 Cd1 C21 27.28(18) . .
N4 Cd1 C21 92.72(19) 1_464 .
O1 Cd1 C21 27.37(18) . .
C21 O1 Cd1 89.6(4) . .
C21 O2 Cd1 93.4(4) . .
C22 O3 Cd1 163.1(5) . 2_766
C22 O4 Cd1 108.8(4) . 1_655
C1 N1 C2 106.8(5) . .
C1 N1 Cd1 119.1(4) . .
C2 N1 Cd1 134.1(5) . .
C1 N2 C3 107.1(6) . .
C1 N2 C4 126.3(6) . .
C3 N2 C4 126.5(6) . .
C16 N3 C17 106.0(5) . .
C16 N3 C13 125.4(6) . .
C17 N3 C13 128.5(5) . .
C16 N4 C18 107.3(6) . .
C16 N4 Cd1 119.4(5) . 1_646
C18 N4 Cd1 132.9(4) . 1_646
N1 C1 N2 110.7(6) . .
N1 C1 H1A 124.6 . .
N2 C1 H1A 124.6 . .
C3 C2 N1 108.8(6) . .
C3 C2 C19 128.5(7) . .
N1 C2 C19 122.6(6) . .
C2 C3 N2 106.6(6) . .
C2 C3 H3A 126.7 . .
N2 C3 H3A 126.7 . .
C5 C4 C9 119.9(6) . .
C5 C4 N2 121.0(6) . .
C9 C4 N2 119.1(7) . .
C4 C5 C6 120.3(6) . .
C4 C5 H5A 119.8 . .
C6 C5 H5A 119.8 . .
C7 C6 C5 121.4(7) . .
C7 C6 H6A 119.3 . .
C5 C6 H6A 119.3 . .
C6 C7 C8 117.3(6) . .
C6 C7 C10 122.0(6) . .
C8 C7 C10 120.7(6) . .
C9 C8 C7 120.8(7) . .
C9 C8 H8A 119.6 . .
C7 C8 H8A 119.6 . .
C4 C9 C8 120.3(7) . .
C4 C9 H9A 119.9 . .
C8 C9 H9A 119.9 . .
C11 C10 C15 118.5(6) . .
C11 C10 C7 121.9(6) . .
C15 C10 C7 119.6(6) . .
C10 C11 C12 121.0(6) . .
C10 C11 H11A 119.5 . .
C12 C11 H11A 119.5 . .
C13 C12 C11 119.4(6) . .
C13 C12 H12A 120.3 . .
C11 C12 H12A 120.3 . .
C12 C13 C14 121.1(6) . .
C12 C13 N3 120.9(6) . .
C14 C13 N3 117.9(6) . .
C13 C14 C15 118.9(6) . .
C13 C14 H14A 120.5 . .
C15 C14 H14A 120.5 . .
C10 C15 C14 121.0(7) . .
C10 C15 H15A 119.5 . .
C14 C15 H15A 119.5 . .
N4 C16 N3 111.4(6) . .
N4 C16 H16A 124.3 . .
N3 C16 H16A 124.3 . .
C18 C17 N3 106.8(6) . .
C18 C17 H17A 126.6 . .
N3 C17 H17A 126.6 . .
C17 C18 N4 108.6(6) . .
C17 C18 C20 128.8(6) . .
N4 C18 C20 122.7(6) . .
C2 C19 H19A 109.5 . .
C2 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C2 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O2 C21 O1 122.2(6) . .
O2 C21 C23 118.0(6) . .
O1 C21 C23 119.7(5) . .
O2 C21 Cd1 59.3(3) . .
O1 C21 Cd1 63.0(3) . .
C23 C21 Cd1 175.6(4) . .
O3 C22 O4 123.1(5) . .
O3 C22 C25 119.7(5) . .
O4 C22 C25 117.2(6) . .
C24 C23 C28 119.5(5) . .
C24 C23 C21 121.1(5) . .
C28 C23 C21 119.4(5) . .
C23 C24 C25 120.4(5) . .
C23 C24 H24A 119.8 . .
C25 C24 H24A 119.8 . .
C26 C25 C24 119.1(5) . .
C26 C25 C22 119.4(5) . .
C24 C25 C22 121.5(5) . .
C27 C26 C25 121.0(6) . .
C27 C26 H26A 119.5 . .
C25 C26 H26A 119.5 . .
C28 C27 C26 118.8(6) . .
C28 C27 H27A 120.6 . .
C26 C27 H27A 120.6 . .
C27 C28 C23 121.0(6) . .
C27 C28 H28A 119.5 . .
C23 C28 H28A 119.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O4 2.272(4) 1_455
Cd1 O3 2.287(5) 2_766
Cd1 N1 2.323(5) .
Cd1 O2 2.348(5) .
Cd1 N4 2.350(5) 1_464
Cd1 O1 2.428(5) .
Cd1 C21 2.726(6) .
O1 C21 1.253(8) .
O2 C21 1.251(8) .
O3 C22 1.253(8) .
O3 Cd1 2.287(5) 2_766
O4 C22 1.260(8) .
O4 Cd1 2.272(4) 1_655
N1 C1 1.315(8) .
N1 C2 1.376(8) .
N2 C1 1.361(8) .
N2 C3 1.369(9) .
N2 C4 1.435(8) .
N3 C16 1.356(8) .
N3 C17 1.384(8) .
N3 C13 1.444(8) .
N4 C16 1.287(8) .
N4 C18 1.377(9) .
N4 Cd1 2.350(5) 1_646
C1 H1A 0.9400 .
C2 C3 1.367(10) .
C2 C19 1.497(10) .
C3 H3A 0.9400 .
C4 C5 1.359(10) .
C4 C9 1.381(11) .
C5 C6 1.391(9) .
C5 H5A 0.9400 .
C6 C7 1.385(10) .
C6 H6A 0.9400 .
C7 C8 1.406(10) .
C7 C10 1.500(9) .
C8 C9 1.382(11) .
C8 H8A 0.9400 .
C9 H9A 0.9400 .
C10 C11 1.386(10) .
C10 C15 1.389(9) .
C11 C12 1.391(10) .
C11 H11A 0.9400 .
C12 C13 1.376(9) .
C12 H12A 0.9400 .
C13 C14 1.376(9) .
C14 C15 1.401(9) .
C14 H14A 0.9400 .
C15 H15A 0.9400 .
C16 H16A 0.9400 .
C17 C18 1.346(9) .
C17 H17A 0.9400 .
C18 C20 1.500(9) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C19 H19C 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C20 H20C 0.9700 .
C21 C23 1.500(8) .
C22 C25 1.500(8) .
C23 C24 1.389(8) .
C23 C28 1.393(9) .
C24 C25 1.397(8) .
C24 H24A 0.9400 .
C25 C26 1.396(9) .
C26 C27 1.393(9) .
C26 H26A 0.9400 .
C27 C28 1.389(9) .
C27 H27A 0.9400 .
C28 H28A 0.9400 .
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
C2 N1 C1 N2 -1.0(8) .
Cd1 N1 C1 N2 179.4(4) .
C3 N2 C1 N1 -0.3(8) .
C4 N2 C1 N1 -175.8(6) .
C1 N1 C2 C3 1.9(8) .
Cd1 N1 C2 C3 -178.6(5) .
C1 N1 C2 C19 179.0(7) .
Cd1 N1 C2 C19 -1.4(11) .
N1 C2 C3 N2 -2.0(8) .
C19 C2 C3 N2 -179.0(7) .
C1 N2 C3 C2 1.4(8) .
C4 N2 C3 C2 177.0(6) .
C1 N2 C4 C5 -44.0(10) .
C3 N2 C4 C5 141.2(8) .
C1 N2 C4 C9 135.6(8) .
C3 N2 C4 C9 -39.1(11) .
C9 C4 C5 C6 -0.2(11) .
N2 C4 C5 C6 179.4(7) .
C4 C5 C6 C7 -0.2(12) .
C5 C6 C7 C8 0.6(11) .
C5 C6 C7 C10 -179.9(7) .
C6 C7 C8 C9 -0.7(12) .
C10 C7 C8 C9 179.9(8) .
C5 C4 C9 C8 0.2(12) .
N2 C4 C9 C8 -179.5(7) .
C7 C8 C9 C4 0.3(13) .
C6 C7 C10 C11 12.1(11) .
C8 C7 C10 C11 -168.4(7) .
C6 C7 C10 C15 -168.5(6) .
C8 C7 C10 C15 11.0(10) .
C15 C10 C11 C12 1.1(11) .
C7 C10 C11 C12 -179.5(7) .
C10 C11 C12 C13 -0.2(12) .
C11 C12 C13 C14 -1.1(11) .
C11 C12 C13 N3 178.2(7) .
C16 N3 C13 C12 -148.3(7) .
C17 N3 C13 C12 28.6(10) .
C16 N3 C13 C14 31.1(10) .
C17 N3 C13 C14 -152.0(7) .
C12 C13 C14 C15 1.5(11) .
N3 C13 C14 C15 -177.9(6) .
C11 C10 C15 C14 -0.8(11) .
C7 C10 C15 C14 179.8(7) .
C13 C14 C15 C10 -0.5(11) .
C18 N4 C16 N3 0.8(8) .
Cd1 N4 C16 N3 174.5(4) 1_646
C17 N3 C16 N4 -0.3(8) .
C13 N3 C16 N4 177.1(6) .
C16 N3 C17 C18 -0.2(8) .
C13 N3 C17 C18 -177.6(6) .
N3 C17 C18 N4 0.7(8) .
N3 C17 C18 C20 179.4(7) .
C16 N4 C18 C17 -0.9(8) .
Cd1 N4 C18 C17 -173.5(5) 1_646
C16 N4 C18 C20 -179.8(7) .
Cd1 N4 C18 C20 7.7(10) 1_646
Cd1 O2 C21 O1 -3.2(7) .
Cd1 O2 C21 C23 176.0(5) .
Cd1 O1 C21 O2 3.0(7) .
Cd1 O1 C21 C23 -176.1(5) .
Cd1 O3 C22 O4 -101.8(15) 2_766
Cd1 O3 C22 C25 78.4(16) 2_766
Cd1 O4 C22 O3 8.6(8) 1_655
Cd1 O4 C22 C25 -171.6(4) 1_655
O2 C21 C23 C24 171.6(6) .
O1 C21 C23 C24 -9.2(9) .
O2 C21 C23 C28 -9.3(9) .
O1 C21 C23 C28 169.9(6) .
C28 C23 C24 C25 -0.5(9) .
C21 C23 C24 C25 178.6(5) .
C23 C24 C25 C26 -0.2(9) .
C23 C24 C25 C22 178.9(5) .
O3 C22 C25 C26 -177.3(7) .
O4 C22 C25 C26 2.9(9) .
O3 C22 C25 C24 3.7(9) .
O4 C22 C25 C24 -176.1(6) .
C24 C25 C26 C27 -1.4(11) .
C22 C25 C26 C27 179.6(7) .
C25 C26 C27 C28 3.6(13) .
C26 C27 C28 C23 -4.3(12) .
C24 C23 C28 C27 2.8(10) .
C21 C23 C28 C27 -176.3(7) .
