#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:31:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180398 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/67/7206760.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_7206760
loop_
_publ_author_name
'Li, Cai'
'Li, Dong-Sheng'
'Zhao, Jun'
'Mou, Yi-Qing'
'Zou, Kun'
'Xiao, Shu-Zhang'
'Du, Miao'
_publ_section_title
;
 Structural diversity and fluorescent properties of Zn(ii)/Cd(ii)
 coordination polymers with a versatile tecton 2-(carboxymethoxy)benzoic
 acid and N-donor co-ligands
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              6601
_journal_paper_doi               10.1039/c1ce05896g
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C28 H26 Cd2 N4 O11'
_chemical_formula_weight         819.33
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.170(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.572(4)
_cell_length_b                   17.273(7)
_cell_length_c                   15.536(6)
_cell_measurement_reflns_used    1480
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.75
_cell_measurement_theta_min      2.36
_cell_volume                     3074(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0765
_diffrn_reflns_av_sigmaI/netI    0.0947
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15752
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    1.449
_exptl_absorpt_correction_T_max  0.717
_exptl_absorpt_correction_T_min  0.654
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1624
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.23
_refine_diff_density_max         3.467
_refine_diff_density_min         -1.057
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         5424
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1315
_refine_ls_R_factor_gt           0.0794
_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)+(0.1081P)²+15.4741P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1969
_refine_ls_wR_factor_ref         0.2288
_reflns_number_gt                3244
_reflns_number_total             5424
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05896g.txt
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_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_sg_symbol_H-M      P2(1)/c
_cod_database_code               7206760
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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 0.25544(8) 0.22721(5) 0.53433(5) 0.0397(3) Uani 1 1 d .
Cd2 Cd 0.25892(7) 0.25873(5) 0.79187(5) 0.0377(3) Uani 1 1 d .
N1 N 0.4291(9) 0.2029(6) 0.8049(6) 0.044(2) Uani 1 1 d .
N2 N 0.5870(9) 0.1509(6) 0.7616(6) 0.048(3) Uani 1 1 d .
N3 N 0.9018(9) 0.3249(6) 0.7066(7) 0.053(3) Uani 1 1 d .
N4 N 1.0808(9) 0.3097(6) 0.7713(6) 0.046(3) Uani 1 1 d .
O1 O 0.0814(8) 0.2896(5) 0.5010(5) 0.053(2) Uani 1 1 d .
O2 O 0.1966(8) 0.3205(5) 0.4058(5) 0.047(2) Uani 1 1 d .
O3 O 0.0796(8) 0.3963(5) 0.2679(5) 0.053(2) Uani 1 1 d .
O4 O 0.2047(8) 0.3258(5) 0.1615(5) 0.050(2) Uani 1 1 d .
O5 O 0.1266(9) 0.3908(6) 0.0474(5) 0.066(3) Uani 1 1 d .
O6 O 0.4103(8) 0.3031(5) 0.5697(5) 0.057(2) Uani 1 1 d .
O7 O 0.3033(8) 0.3310(5) 0.6719(5) 0.051(2) Uani 1 1 d .
O8 O 0.4446(8) 0.3954(5) 0.8110(5) 0.055(2) Uani 1 1 d .
O9 O 0.3142(8) 0.3319(5) 0.9177(5) 0.051(2) Uani 1 1 d .
O10 O 0.4204(9) 0.3836(6) 1.0334(5) 0.067(3) Uani 1 1 d .
C1 C 0.1027(11) 0.3278(7) 0.4368(7) 0.041(3) Uani 1 1 d .
C2 C 0.0142(10) 0.3883(6) 0.4015(7) 0.039(3) Uani 1 1 d .
C3 C -0.0624(11) 0.4142(8) 0.4581(8) 0.051(3) Uani 1 1 d .
H3 H -0.0588 0.3911 0.5125 0.062 Uiso 1 1 calc R
C4 C -0.1431(12) 0.4729(8) 0.4358(9) 0.059(4) Uani 1 1 d .
H4 H -0.1954 0.4875 0.4731 0.071 Uiso 1 1 calc R
C5 C -0.1432(12) 0.5089(8) 0.3564(9) 0.057(4) Uani 1 1 d .
H5 H -0.1933 0.5504 0.3414 0.068 Uiso 1 1 calc R
C6 C -0.0693(11) 0.4842(7) 0.2982(9) 0.053(3) Uani 1 1 d .
H6 H -0.0731 0.5074 0.2438 0.063 Uiso 1 1 calc R
C7 C 0.0098(11) 0.4249(7) 0.3218(8) 0.044(3) Uani 1 1 d .
C8 C 0.0629(12) 0.4252(7) 0.1792(7) 0.046(3) Uani 1 1 d .
H8A H 0.0855 0.4792 0.1786 0.056 Uiso 1 1 calc R
H8B H -0.0187 0.4211 0.1546 0.056 Uiso 1 1 calc R
C9 C 0.1367(11) 0.3780(7) 0.1259(7) 0.043(3) Uani 1 1 d .
C10 C 0.3920(11) 0.3421(7) 0.6357(7) 0.041(3) Uani 1 1 d .
C11 C 0.4770(10) 0.4051(6) 0.6636(7) 0.037(3) Uani 1 1 d .
C12 C 0.5026(11) 0.4295(7) 0.7504(8) 0.046(3) Uani 1 1 d .
C13 C 0.5884(11) 0.4850(7) 0.7721(8) 0.049(3) Uani 1 1 d .
H13 H 0.6091 0.4999 0.8297 0.059 Uiso 1 1 calc R
C14 C 0.6433(12) 0.5184(8) 0.7073(10) 0.062(4) Uani 1 1 d .
H14 H 0.6998 0.5564 0.7219 0.074 Uiso 1 1 calc R
C15 C 0.6152(13) 0.4961(8) 0.6211(9) 0.056(4) Uani 1 1 d .
H15 H 0.6495 0.5198 0.5773 0.067 Uiso 1 1 calc R
C16 C 0.5362(12) 0.4385(7) 0.6029(8) 0.051(3) Uani 1 1 d .
H16 H 0.5213 0.4205 0.5459 0.061 Uiso 1 1 calc R
C17 C 0.4750(13) 0.4171(9) 0.8979(8) 0.061(4) Uani 1 1 d .
H17A H 0.4651 0.4725 0.9040 0.073 Uiso 1 1 calc R
H17B H 0.5561 0.4044 0.9175 0.073 Uiso 1 1 calc R
C18 C 0.3972(12) 0.3743(7) 0.9516(8) 0.048(3) Uani 1 1 d .
C19 C 0.4795(11) 0.1768(7) 0.7393(8) 0.042(3) Uani 1 1 d .
H19 H 0.4423 0.1767 0.6822 0.051 Uiso 1 1 calc R
C20 C 0.5125(12) 0.1924(8) 0.8759(8) 0.057(4) Uani 1 1 d .
H20 H 0.5040 0.2052 0.9328 0.068 Uiso 1 1 calc R
C21 C 0.6112(13) 0.1599(8) 0.8502(8) 0.063(4) Uani 1 1 d .
H21 H 0.6800 0.1467 0.8857 0.076 Uiso 1 1 calc R
C22 C 0.6644(11) 0.1237(8) 0.7002(9) 0.056(4) Uani 1 1 d .
H22A H 0.6189 0.1153 0.6436 0.067 Uiso 1 1 calc R
H22B H 0.6994 0.0748 0.7204 0.067 Uiso 1 1 calc R
C23 C 0.7613(12) 0.1833(8) 0.6919(10) 0.061(4) Uani 1 1 d .
H23A H 0.8124 0.1873 0.7470 0.073 Uiso 1 1 calc R
H23B H 0.8077 0.1659 0.6483 0.073 Uiso 1 1 calc R
C24 C 0.7098(12) 0.2618(8) 0.6666(11) 0.070(4) Uani 1 1 d .
H24A H 0.6773 0.2836 0.7155 0.084 Uiso 1 1 calc R
H24B H 0.6466 0.2557 0.6190 0.084 Uiso 1 1 calc R
C25 C 0.8001(11) 0.3179(8) 0.6392(10) 0.064(4) Uani 1 1 d .
H25A H 0.8252 0.2997 0.5858 0.076 Uiso 1 1 calc R
H25B H 0.7646 0.3685 0.6280 0.076 Uiso 1 1 calc R
C26 C 1.0102(12) 0.3029(8) 0.6986(8) 0.051(3) Uani 1 1 d .
H26 H 1.0326 0.2847 0.6471 0.061 Uiso 1 1 calc R
C27 C 1.0140(13) 0.3381(8) 0.8304(9) 0.059(4) Uani 1 1 d .
H27 H 1.0404 0.3488 0.8886 0.071 Uiso 1 1 calc R
C28 C 0.9061(13) 0.3478(8) 0.7914(10) 0.061(4) Uani 1 1 d .
H28 H 0.8439 0.3668 0.8169 0.073 Uiso 1 1 calc R
O11 O 0.851(3) 0.4467(14) -0.0052(18) 0.151(14) Uani 0.50 1 d P
O12 O 0.856(4) 0.196(2) 0.492(2) 0.198(19) Uani 0.50 1 d P
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
O6 Cd1 O9 98.1(3) . 4_565
O6 Cd1 O1 115.6(3) . .
O9 Cd1 O1 112.8(3) 4_565 .
O6 Cd1 O4 108.3(3) . 4_566
O9 Cd1 O4 129.9(3) 4_565 4_566
O1 Cd1 O4 93.3(3) . 4_566
O6 Cd1 O5 155.6(3) . 4_566
O9 Cd1 O5 87.1(3) 4_565 4_566
O1 Cd1 O5 83.6(3) . 4_566
O4 Cd1 O5 52.9(3) 4_566 4_566
O6 Cd1 O2 86.4(3) . .
O9 Cd1 O2 74.8(3) 4_565 .
O1 Cd1 O2 53.2(3) . .
O4 Cd1 O2 146.3(3) 4_566 .
O5 Cd1 O2 117.9(3) 4_566 .
N1 Cd2 N4 176.0(4) . 1_455
N1 Cd2 O9 91.4(3) . .
N4 Cd2 O9 92.5(3) 1_455 .
N1 Cd2 O7 90.7(3) . .
N4 Cd2 O7 88.7(3) 1_455 .
O9 Cd2 O7 108.0(3) . .
N1 Cd2 O2 92.3(3) . 4_566
N4 Cd2 O2 87.9(3) 1_455 4_566
O9 Cd2 O2 76.6(3) . 4_566
O7 Cd2 O2 174.3(3) . 4_566
N1 Cd2 O4 86.4(3) . 4_566
N4 Cd2 O4 89.6(3) 1_455 4_566
O9 Cd2 O4 176.9(3) . 4_566
O7 Cd2 O4 74.2(3) . 4_566
O2 Cd2 O4 101.2(3) 4_566 4_566
C19 N1 C20 103.7(10) . .
C19 N1 Cd2 124.8(8) . .
C20 N1 Cd2 131.2(8) . .
C19 N2 C21 105.9(11) . .
C19 N2 C22 125.0(11) . .
C21 N2 C22 128.9(11) . .
C26 N3 C28 105.4(11) . .
C26 N3 C25 125.4(12) . .
C28 N3 C25 128.9(12) . .
C26 N4 C27 105.6(11) . .
C26 N4 Cd2 123.0(8) . 1_655
C27 N4 Cd2 130.1(9) . 1_655
C1 O1 Cd1 99.4(7) . .
C1 O2 Cd2 134.4(8) . 4_565
C1 O2 Cd1 85.0(7) . .
Cd2 O2 Cd1 98.0(3) 4_565 .
C7 O3 C8 117.1(9) . .
C9 O4 Cd1 97.1(7) . 4_565
C9 O4 Cd2 146.6(8) . 4_565
Cd1 O4 Cd2 113.1(3) 4_565 4_565
C9 O5 Cd1 87.8(8) . 4_565
C10 O6 Cd1 106.9(8) . .
C10 O7 Cd2 136.0(8) . .
C12 O8 C17 118.1(9) . .
C18 O9 Cd1 102.9(7) . 4_566
C18 O9 Cd2 139.8(8) . .
Cd1 O9 Cd2 110.4(3) 4_566 .
O1 C1 O2 122.2(11) . .
O1 C1 C2 117.0(11) . .
O2 C1 C2 120.6(11) . .
C7 C2 C3 117.9(11) . .
C7 C2 C1 125.3(11) . .
C3 C2 C1 116.5(10) . .
C4 C3 C2 122.4(12) . .
C4 C3 H3 118.8 . .
C2 C3 H3 118.8 . .
C5 C4 C3 117.9(12) . .
C5 C4 H4 121.1 . .
C3 C4 H4 121.1 . .
C4 C5 C6 121.2(13) . .
C4 C5 H5 119.4 . .
C6 C5 H5 119.4 . .
C7 C6 C5 119.7(12) . .
C7 C6 H6 120.2 . .
C5 C6 H6 120.2 . .
O3 C7 C2 116.2(11) . .
O3 C7 C6 122.8(11) . .
C2 C7 C6 120.9(12) . .
O3 C8 C9 109.0(10) . .
O3 C8 H8A 109.9 . .
C9 C8 H8A 109.9 . .
O3 C8 H8B 109.9 . .
C9 C8 H8B 109.9 . .
H8A C8 H8B 108.3 . .
O5 C9 O4 121.7(12) . .
O5 C9 C8 117.8(11) . .
O4 C9 C8 120.4(10) . .
O7 C10 O6 121.5(11) . .
O7 C10 C11 122.0(11) . .
O6 C10 C11 116.3(11) . .
C16 C11 C12 118.5(12) . .
C16 C11 C10 118.8(11) . .
C12 C11 C10 122.6(11) . .
O8 C12 C13 122.4(11) . .
O8 C12 C11 118.4(11) . .
C13 C12 C11 119.2(12) . .
C12 C13 C14 119.7(12) . .
C12 C13 H13 120.1 . .
C14 C13 H13 120.1 . .
C15 C14 C13 121.0(13) . .
C15 C14 H14 119.5 . .
C13 C14 H14 119.5 . .
C16 C15 C14 117.8(13) . .
C16 C15 H15 121.1 . .
C14 C15 H15 121.1 . .
C15 C16 C11 123.6(12) . .
C15 C16 H16 118.2 . .
C11 C16 H16 118.2 . .
O8 C17 C18 108.4(11) . .
O8 C17 H17A 110.0 . .
C18 C17 H17A 110.0 . .
O8 C17 H17B 110.0 . .
C18 C17 H17B 110.0 . .
H17A C17 H17B 108.4 . .
O9 C18 O10 122.1(12) . .
O9 C18 C17 122.2(11) . .
O10 C18 C17 115.7(12) . .
N2 C19 N1 114.5(11) . .
N2 C19 H19 122.7 . .
N1 C19 H19 122.7 . .
N1 C20 C21 109.7(11) . .
N1 C20 H20 125.1 . .
C21 C20 H20 125.1 . .
N2 C21 C20 106.1(11) . .
N2 C21 H21 127.0 . .
C20 C21 H21 127.0 . .
N2 C22 C23 111.0(11) . .
N2 C22 H22A 109.4 . .
C23 C22 H22A 109.4 . .
N2 C22 H22B 109.4 . .
C23 C22 H22B 109.4 . .
H22A C22 H22B 108.0 . .
C24 C23 C22 110.8(11) . .
C24 C23 H23A 109.5 . .
C22 C23 H23A 109.5 . .
C24 C23 H23B 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 108.1 . .
C23 C24 C25 112.4(12) . .
C23 C24 H24A 109.1 . .
C25 C24 H24A 109.1 . .
C23 C24 H24B 109.1 . .
C25 C24 H24B 109.1 . .
H24A C24 H24B 107.9 . .
N3 C25 C24 111.4(11) . .
N3 C25 H25A 109.4 . .
C24 C25 H25A 109.4 . .
N3 C25 H25B 109.4 . .
C24 C25 H25B 109.4 . .
H25A C25 H25B 108.0 . .
N4 C26 N3 112.1(11) . .
N4 C26 H26 123.9 . .
N3 C26 H26 123.9 . .
C28 C27 N4 108.9(13) . .
C28 C27 H27 125.6 . .
N4 C27 H27 125.6 . .
C27 C28 N3 108.0(12) . .
C27 C28 H28 126.0 . .
N3 C28 H28 126.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O6 2.226(9) .
Cd1 O9 2.267(8) 4_565
Cd1 O1 2.278(9) .
Cd1 O4 2.328(8) 4_566
Cd1 O5 2.550(10) 4_566
Cd1 O2 2.580(8) .
Cd2 N1 2.176(10) .
Cd2 N4 2.222(10) 1_455
Cd2 O9 2.339(8) .
Cd2 O7 2.360(8) .
Cd2 O2 2.426(8) 4_566
Cd2 O4 2.503(8) 4_566
N1 C19 1.324(14) .
N1 C20 1.371(15) .
N2 C19 1.321(15) .
N2 C21 1.374(15) .
N2 C22 1.475(15) .
N3 C26 1.334(16) .
N3 C28 1.368(17) .
N3 C25 1.465(17) .
N4 C26 1.302(15) .
N4 C27 1.374(15) .
N4 Cd2 2.222(10) 1_655
O1 C1 1.248(13) .
O2 C1 1.256(13) .
O2 Cd2 2.426(8) 4_565
O3 C7 1.339(13) .
O3 C8 1.451(13) .
O4 C9 1.270(14) .
O4 Cd1 2.328(8) 4_565
O4 Cd2 2.503(8) 4_565
O5 C9 1.228(13) .
O5 Cd1 2.550(10) 4_565
O6 C10 1.270(13) .
O7 C10 1.253(14) .
O8 C12 1.366(14) .
O8 C17 1.397(14) .
O9 C18 1.263(15) .
O9 Cd1 2.267(8) 4_566
O10 C18 1.270(14) .
C1 C2 1.511(16) .
C2 C7 1.385(16) .
C2 C3 1.408(16) .
C3 C4 1.389(18) .
C3 H3 0.9300 .
C4 C5 1.381(18) .
C4 H4 0.9300 .
C5 C6 1.396(16) .
C5 H5 0.9300 .
C6 C7 1.388(17) .
C6 H6 0.9300 .
C8 C9 1.510(16) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C10 C11 1.490(16) .
C11 C16 1.370(16) .
C11 C12 1.403(15) .
C12 C13 1.387(17) .
C13 C14 1.390(17) .
C13 H13 0.9300 .
C14 C15 1.387(19) .
C14 H14 0.9300 .
C15 C16 1.354(18) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.506(17) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C19 H19 0.9300 .
C20 C21 1.381(18) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 C23 1.541(18) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.511(18) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.530(18) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26 0.9300 .
C27 C28 1.318(19) .
C27 H27 0.9300 .
C28 H28 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
N4 Cd2 N1 C19 40(5) 1_455 .
O9 Cd2 N1 C19 -150.6(10) . .
O7 Cd2 N1 C19 -42.6(10) . .
O2 Cd2 N1 C19 132.7(10) 4_566 .
O4 Cd2 N1 C19 31.6(10) 4_566 .
N4 Cd2 N1 C20 -147(5) 1_455 .
O9 Cd2 N1 C20 22.5(12) . .
O7 Cd2 N1 C20 130.6(11) . .
O2 Cd2 N1 C20 -54.2(12) 4_566 .
O4 Cd2 N1 C20 -155.3(12) 4_566 .
O6 Cd1 O1 C1 61.2(8) . .
O9 Cd1 O1 C1 -50.5(8) 4_565 .
O4 Cd1 O1 C1 173.3(7) 4_566 .
O5 Cd1 O1 C1 -134.6(7) 4_566 .
O2 Cd1 O1 C1 -2.4(7) . .
O6 Cd1 O2 C1 -123.6(7) . .
O9 Cd1 O2 C1 137.0(7) 4_565 .
O1 Cd1 O2 C1 2.3(6) . .
O4 Cd1 O2 C1 -5.4(9) 4_566 .
O5 Cd1 O2 C1 58.7(7) 4_566 .
O6 Cd1 O2 Cd2 102.2(3) . 4_565
O9 Cd1 O2 Cd2 2.8(3) 4_565 4_565
O1 Cd1 O2 Cd2 -131.9(5) . 4_565
O4 Cd1 O2 Cd2 -139.6(4) 4_566 4_565
O5 Cd1 O2 Cd2 -75.5(4) 4_566 4_565
O9 Cd1 O6 C10 179.6(7) 4_565 .
O1 Cd1 O6 C10 59.6(8) . .
O4 Cd1 O6 C10 -43.5(8) 4_566 .
O5 Cd1 O6 C10 -79.5(11) 4_566 .
O2 Cd1 O6 C10 105.5(8) . .
N1 Cd2 O7 C10 -8.2(11) . .
N4 Cd2 O7 C10 175.8(11) 1_455 .
O9 Cd2 O7 C10 83.5(11) . .
O2 Cd2 O7 C10 -131(3) 4_566 .
O4 Cd2 O7 C10 -94.2(11) 4_566 .
N1 Cd2 O9 C18 48.7(13) . .
N4 Cd2 O9 C18 -132.0(13) 1_455 .
O7 Cd2 O9 C18 -42.5(14) . .
O2 Cd2 O9 C18 140.8(13) 4_566 .
O4 Cd2 O9 C18 93(5) 4_566 .
N1 Cd2 O9 Cd1 -95.3(4) . 4_566
N4 Cd2 O9 Cd1 83.9(4) 1_455 4_566
O7 Cd2 O9 Cd1 173.4(3) . 4_566
O2 Cd2 O9 Cd1 -3.3(3) 4_566 4_566
O4 Cd2 O9 Cd1 -51(5) 4_566 4_566
Cd1 O1 C1 O2 4.6(13) . .
Cd1 O1 C1 C2 -170.9(8) . .
Cd2 O2 C1 O1 92.3(13) 4_565 .
Cd1 O2 C1 O1 -4.1(11) . .
Cd2 O2 C1 C2 -92.3(13) 4_565 .
Cd1 O2 C1 C2 171.3(10) . .
O1 C1 C2 C7 -166.1(11) . .
O2 C1 C2 C7 18.3(18) . .
O1 C1 C2 C3 20.2(16) . .
O2 C1 C2 C3 -155.4(11) . .
C7 C2 C3 C4 1.8(19) . .
C1 C2 C3 C4 176.0(12) . .
C2 C3 C4 C5 -3(2) . .
C3 C4 C5 C6 4(2) . .
C4 C5 C6 C7 -3(2) . .
C8 O3 C7 C2 170.2(10) . .
C8 O3 C7 C6 -5.2(18) . .
C3 C2 C7 O3 -176.7(11) . .
C1 C2 C7 O3 9.7(17) . .
C3 C2 C7 C6 -1.2(18) . .
C1 C2 C7 C6 -174.8(12) . .
C5 C6 C7 O3 177.1(12) . .
C5 C6 C7 C2 1.9(19) . .
C7 O3 C8 C9 -171.8(10) . .
Cd1 O5 C9 O4 6.4(12) 4_565 .
Cd1 O5 C9 C8 -172.1(10) 4_565 .
Cd1 O4 C9 O5 -7.1(14) 4_565 .
Cd2 O4 C9 O5 -162.5(10) 4_565 .
Cd1 O4 C9 C8 171.4(10) 4_565 .
Cd2 O4 C9 C8 16(2) 4_565 .
O3 C8 C9 O5 174.7(11) . .
O3 C8 C9 O4 -3.9(16) . .
Cd2 O7 C10 O6 95.9(13) . .
Cd2 O7 C10 C11 -88.5(14) . .
Cd1 O6 C10 O7 4.1(13) . .
Cd1 O6 C10 C11 -171.7(8) . .
O7 C10 C11 C16 -149.5(12) . .
O6 C10 C11 C16 26.3(16) . .
O7 C10 C11 C12 33.4(17) . .
O6 C10 C11 C12 -150.8(12) . .
C17 O8 C12 C13 -1.0(19) . .
C17 O8 C12 C11 176.7(12) . .
C16 C11 C12 O8 -179.1(11) . .
C10 C11 C12 O8 -2.0(18) . .
C16 C11 C12 C13 -1.3(18) . .
C10 C11 C12 C13 175.8(12) . .
O8 C12 C13 C14 -179.1(12) . .
C11 C12 C13 C14 3(2) . .
C12 C13 C14 C15 -1(2) . .
C13 C14 C15 C16 -3(2) . .
C14 C15 C16 C11 5(2) . .
C12 C11 C16 C15 -3(2) . .
C10 C11 C16 C15 180.0(12) . .
C12 O8 C17 C18 178.1(11) . .
Cd1 O9 C18 O10 -8.5(15) 4_566 .
Cd2 O9 C18 O10 -154.1(10) . .
Cd1 O9 C18 C17 171.5(11) 4_566 .
Cd2 O9 C18 C17 26(2) . .
O8 C17 C18 O9 -5.2(19) . .
O8 C17 C18 O10 174.8(12) . .
C21 N2 C19 N1 0.4(15) . .
C22 N2 C19 N1 -175.8(11) . .
C20 N1 C19 N2 -0.2(14) . .
Cd2 N1 C19 N2 174.6(8) . .
C19 N1 C20 C21 -0.1(15) . .
Cd2 N1 C20 C21 -174.3(9) . .
C19 N2 C21 C20 -0.4(16) . .
C22 N2 C21 C20 175.5(12) . .
N1 C20 C21 N2 0.3(17) . .
C19 N2 C22 C23 106.4(14) . .
C21 N2 C22 C23 -68.8(17) . .
N2 C22 C23 C24 -55.2(16) . .
C22 C23 C24 C25 -168.0(13) . .
C26 N3 C25 C24 115.2(15) . .
C28 N3 C25 C24 -58.3(19) . .
C23 C24 C25 N3 -54.7(18) . .
C27 N4 C26 N3 0.0(15) . .
Cd2 N4 C26 N3 168.1(8) 1_655 .
C28 N3 C26 N4 0.4(15) . .
C25 N3 C26 N4 -174.4(11) . .
C26 N4 C27 C28 -0.4(15) . .
Cd2 N4 C27 C28 -167.3(10) 1_655 .
N4 C27 C28 N3 0.6(17) . .
C26 N3 C28 C27 -0.6(16) . .
C25 N3 C28 C27 173.9(13) . .
