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#$Date: 2017-08-30 06:12:26 +0300 (Wed, 30 Aug 2017) $
#$Revision: 199998 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/40/7044036.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_7044036
loop_
_publ_author_name
'Rosales-Vazquez, Luis D'
'Sanchez, Victor'
'Dorazco-Gonzalez, Alejandro'
'Martínez-Otero, Diego'
'Garcia-Orozco, Ivan'
'Morales, Raul Alberto'
'Jaramillo-Garcia, Jonathan'
'Tellez-Lopez, Antonio'
_publ_section_title
;
 Cadmium---1,4-Cyclohexanedicarboxylato Coordination Polymers Bearing
 Different Di-alkyl-2,2’-bipyridines: Syntheses, Crystal Structures
 and Photoluminescence Studies
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02376F
_journal_year                    2017
_chemical_formula_moiety         'C20 H22 Cd N2 O4, H2 O, C H4 O'
_chemical_formula_sum            'C21 H28 Cd N2 O6'
_chemical_formula_weight         516.85
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-06-09 deposited with the CCDC.
2017-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.3664(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.5501(5)
_cell_length_b                   15.2993(7)
_cell_length_c                   13.2627(6)
_cell_measurement_reflns_used    9996
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.35
_cell_volume                     2137.03(17)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0235
_diffrn_reflns_av_unetI/netI     0.0176
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23168
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.444
_diffrn_reflns_theta_min         1.934
_diffrn_source                   'Incoatec ImuS'
_exptl_absorpt_coefficient_mu    1.062
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5, Sheldrick'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.606
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1056
_exptl_crystal_preparation       ', Luminescent'
_exptl_crystal_size_max          0.313
_exptl_crystal_size_mid          0.236
_exptl_crystal_size_min          0.146
_refine_diff_density_max         0.419
_refine_diff_density_min         -0.245
_refine_diff_density_rms         0.057
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         4877
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0196
_refine_ls_R_factor_gt           0.0181
_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)+(0.0190P)²+1.2791P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0430
_refine_ls_wR_factor_ref         0.0438
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4590
_reflns_number_total             4877
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt02376f2.cif
_cod_data_source_block           mo_035GOI16_0m
_cod_database_code               7044036
_shelx_shelxl_version_number     2014/7
_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   0.732
_shelx_estimated_absorpt_t_max   0.860
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Cd01 Cd 0.14232(2) 0.56767(2) 1.03772(2) 0.01022(4) Uani 1 1 d . .
O1 O 0.02245(10) 0.51584(7) 0.90096(7) 0.0139(2) Uani 1 1 d . .
O2 O 0.20797(10) 0.55891(7) 0.85249(8) 0.0156(2) Uani 1 1 d . .
O3 O 0.08145(10) 0.78947(7) 0.49063(8) 0.0158(2) Uani 1 1 d . .
O4 O 0.06923(11) 0.81879(7) 0.65181(8) 0.0194(2) Uani 1 1 d . .
O5 O 0.14778(13) 0.66729(8) 0.35196(9) 0.0272(3) Uani 1 1 d D .
H5A H 0.1231(19) 0.6803(13) 0.2917(8) 0.033 Uiso 1 1 d D U
H5B H 0.128(2) 0.7089(11) 0.3900(12) 0.033 Uiso 1 1 d D U
O6 O 0.39874(13) 0.63210(9) 0.36329(12) 0.0357(3) Uani 1 1 d D .
H6A H 0.3196(16) 0.6447(16) 0.3609(19) 0.054 Uiso 1 1 d D U
N1 N 0.34974(11) 0.61285(8) 1.08047(9) 0.0132(2) Uani 1 1 d . .
N2 N 0.26719(12) 0.44613(8) 1.08649(9) 0.0127(2) Uani 1 1 d . .
C1 C 0.38572(14) 0.69641(10) 1.07738(11) 0.0159(3) Uani 1 1 d . .
H1 H 0.3239 0.7386 1.0557 0.019 Uiso 1 1 calc R U
C2 C 0.50798(14) 0.72563(10) 1.10385(11) 0.0157(3) Uani 1 1 d . .
C3 C 0.59650(14) 0.66215(10) 1.13370(11) 0.0169(3) Uani 1 1 d . .
H3 H 0.6814 0.6786 1.1526 0.020 Uiso 1 1 calc R U
C4 C 0.56146(14) 0.57494(10) 1.13597(11) 0.0158(3) Uani 1 1 d . .
H4 H 0.6222 0.5314 1.1555 0.019 Uiso 1 1 calc R U
C5 C 0.43622(14) 0.55181(9) 1.10925(10) 0.0123(3) Uani 1 1 d . .
C6 C 0.39152(13) 0.45955(9) 1.11027(10) 0.0124(3) Uani 1 1 d . .
C7 C 0.47255(14) 0.39005(10) 1.13549(11) 0.0151(3) Uani 1 1 d . .
H7 H 0.5602 0.4002 1.1518 0.018 Uiso 1 1 calc R U
C8 C 0.42374(14) 0.30578(10) 1.13659(11) 0.0166(3) Uani 1 1 d . .
H8 H 0.4781 0.2579 1.1538 0.020 Uiso 1 1 calc R U
C9 C 0.29532(14) 0.29154(9) 1.11252(11) 0.0158(3) Uani 1 1 d . .
C10 C 0.22112(14) 0.36442(9) 1.08721(11) 0.0145(3) Uani 1 1 d . .
H10 H 0.1334 0.3559 1.0696 0.017 Uiso 1 1 calc R U
C11 C 0.53986(15) 0.82122(10) 1.09761(13) 0.0207(3) Uani 1 1 d . .
H11A H 0.5313 0.8403 1.0270 0.031 Uiso 1 1 calc R U
H11B H 0.6273 0.8307 1.1244 0.031 Uiso 1 1 calc R U
H11C H 0.4817 0.8550 1.1374 0.031 Uiso 1 1 calc R U
C12 C 0.23696(16) 0.20163(10) 1.11216(13) 0.0220(3) Uani 1 1 d . .
H12A H 0.2100 0.1852 1.0428 0.033 Uiso 1 1 calc R U
H12B H 0.1632 0.2018 1.1537 0.033 Uiso 1 1 calc R U
H12C H 0.2997 0.1594 1.1397 0.033 Uiso 1 1 calc R U
C13 C 0.05470(14) 0.50588(9) 0.72341(10) 0.0127(3) Uani 1 1 d . .
H13 H 0.0381 0.4415 0.7214 0.015 Uiso 1 1 calc R U
C14 C -0.07143(14) 0.55212(9) 0.69381(11) 0.0145(3) Uani 1 1 d . .
H14A H -0.1081 0.5273 0.6296 0.017 Uiso 1 1 calc R U
H14B H -0.1322 0.5416 0.7466 0.017 Uiso 1 1 calc R U
C15 C -0.05214(13) 0.65070(9) 0.68127(11) 0.0144(3) Uani 1 1 d . .
H15A H -0.0180 0.6761 0.7459 0.017 Uiso 1 1 calc R U
H15B H -0.1347 0.6790 0.6630 0.017 Uiso 1 1 calc R U
C16 C 0.04034(14) 0.66825(9) 0.59867(11) 0.0138(3) Uani 1 1 d . .
H16 H 0.0038 0.6420 0.5343 0.017 Uiso 1 1 calc R U
C17 C 0.16873(14) 0.62331(9) 0.62582(11) 0.0141(3) Uani 1 1 d . .
H17A H 0.2254 0.6315 0.5697 0.017 Uiso 1 1 calc R U
H17B H 0.2093 0.6513 0.6868 0.017 Uiso 1 1 calc R U
C18 C 0.15275(14) 0.52540(9) 0.64567(11) 0.0149(3) Uani 1 1 d . .
H18A H 0.2357 0.5007 0.6700 0.018 Uiso 1 1 calc R U
H18B H 0.1265 0.4960 0.5813 0.018 Uiso 1 1 calc R U
C19 C 0.10031(13) 0.52897(8) 0.83149(10) 0.0109(3) Uani 1 1 d . .
C20 C 0.06322(13) 0.76498(9) 0.58023(11) 0.0134(3) Uani 1 1 d . .
C21 C 0.40813(18) 0.54173(12) 0.37731(14) 0.0289(4) Uani 1 1 d . .
H21A H 0.3708 0.5257 0.4407 0.043 Uiso 1 1 calc R U
H21B H 0.4977 0.5244 0.3802 0.043 Uiso 1 1 calc R U
H21C H 0.3624 0.5118 0.3209 0.043 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
O1 Cd01 N1 139.58(4) . .
O1 Cd01 O1 72.51(4) . 3_567
N1 Cd01 O1 141.47(4) . 3_567
O1 Cd01 N2 102.63(4) . .
N1 Cd01 N2 70.40(4) . .
O1 Cd01 N2 83.58(4) 3_567 .
O1 Cd01 O3 88.97(4) . 4_576
N1 Cd01 O3 91.53(4) . 4_576
O1 Cd01 O3 113.74(4) 3_567 4_576
N2 Cd01 O3 161.66(4) . 4_576
O1 Cd01 O4 123.61(4) . 4_576
N1 Cd01 O4 87.98(4) . 4_576
O1 Cd01 O4 84.58(4) 3_567 4_576
N2 Cd01 O4 125.56(4) . 4_576
O3 Cd01 O4 54.27(3) 4_576 4_576
O1 Cd01 O2 53.00(3) . .
N1 Cd01 O2 86.94(4) . .
O1 Cd01 O2 123.07(3) 3_567 .
N2 Cd01 O2 92.48(4) . .
O3 Cd01 O2 83.14(3) 4_576 .
O4 Cd01 O2 136.92(3) 4_576 .
C19 O1 Cd01 99.62(8) . .
C19 O1 Cd01 148.53(9) . 3_567
Cd01 O1 Cd01 107.49(4) . 3_567
C19 O2 Cd01 86.56(8) . .
C20 O3 Cd01 94.56(9) . 4_575
C20 O4 Cd01 90.10(9) . 4_575
H5A O5 H5B 108.1(17) . .
C21 O6 H6A 106.8(17) . .
C1 N1 C5 118.97(13) . .
C1 N1 Cd01 122.73(10) . .
C5 N1 Cd01 118.30(9) . .
C10 N2 C6 119.25(13) . .
C10 N2 Cd01 122.85(10) . .
C6 N2 Cd01 117.83(9) . .
N1 C1 C2 124.15(14) . .
N1 C1 H1 117.9 . .
C2 C1 H1 117.9 . .
C3 C2 C1 116.45(14) . .
C3 C2 C11 123.16(14) . .
C1 C2 C11 120.38(14) . .
C4 C3 C2 120.26(14) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 119.29(14) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
N1 C5 C4 120.87(13) . .
N1 C5 C6 116.81(13) . .
C4 C5 C6 122.32(13) . .
N2 C6 C7 121.03(13) . .
N2 C6 C5 116.56(12) . .
C7 C6 C5 122.40(13) . .
C8 C7 C6 119.25(14) . .
C8 C7 H7 120.4 . .
C6 C7 H7 120.4 . .
C7 C8 C9 119.98(14) . .
C7 C8 H8 120.0 . .
C9 C8 H8 120.0 . .
C8 C9 C10 117.16(14) . .
C8 C9 C12 122.41(14) . .
C10 C9 C12 120.43(14) . .
N2 C10 C9 123.31(14) . .
N2 C10 H10 118.3 . .
C9 C10 H10 118.3 . .
C2 C11 H11A 109.5 . .
C2 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C2 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C19 C13 C18 113.50(12) . .
C19 C13 C14 110.72(11) . .
C18 C13 C14 110.29(12) . .
C19 C13 H13 107.3 . .
C18 C13 H13 107.3 . .
C14 C13 H13 107.3 . .
C15 C14 C13 111.23(12) . .
C15 C14 H14A 109.4 . .
C13 C14 H14A 109.4 . .
C15 C14 H14B 109.4 . .
C13 C14 H14B 109.4 . .
H14A C14 H14B 108.0 . .
C14 C15 C16 110.12(12) . .
C14 C15 H15A 109.6 . .
C16 C15 H15A 109.6 . .
C14 C15 H15B 109.6 . .
C16 C15 H15B 109.6 . .
H15A C15 H15B 108.1 . .
C20 C16 C15 113.50(12) . .
C20 C16 C17 109.00(12) . .
C15 C16 C17 110.01(11) . .
C20 C16 H16 108.1 . .
C15 C16 H16 108.1 . .
C17 C16 H16 108.1 . .
C18 C17 C16 111.83(12) . .
C18 C17 H17A 109.2 . .
C16 C17 H17A 109.2 . .
C18 C17 H17B 109.2 . .
C16 C17 H17B 109.2 . .
H17A C17 H17B 107.9 . .
C17 C18 C13 113.06(11) . .
C17 C18 H18A 109.0 . .
C13 C18 H18A 109.0 . .
C17 C18 H18B 109.0 . .
C13 C18 H18B 109.0 . .
H18A C18 H18B 107.8 . .
O2 C19 O1 120.77(13) . .
O2 C19 C13 122.01(12) . .
O1 C19 C13 117.21(12) . .
O4 C20 O3 120.66(13) . .
O4 C20 C16 121.18(13) . .
O3 C20 C16 118.09(13) . .
O6 C21 H21A 109.5 . .
O6 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
O6 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd01 O1 2.2911(10) .
Cd01 N1 2.3328(12) .
Cd01 O1 2.3413(10) 3_567
Cd01 N2 2.3476(12) .
Cd01 O3 2.3522(10) 4_576
Cd01 O4 2.4573(11) 4_576
Cd01 O2 2.5948(11) .
O1 C19 1.2857(17) .
O1 Cd01 2.3413(10) 3_567
O2 C19 1.2411(18) .
O3 C20 1.2714(17) .
O3 Cd01 2.3522(10) 4_575
O4 C20 1.2553(18) .
O4 Cd01 2.4573(11) 4_575
O5 H5A 0.849(10) .
O5 H5B 0.847(10) .
O6 C21 1.398(2) .
O6 H6A 0.856(16) .
N1 C1 1.3348(19) .
N1 C5 1.3451(18) .
N2 C10 1.3415(18) .
N2 C6 1.3468(18) .
C1 C2 1.391(2) .
C1 H1 0.9500 .
C2 C3 1.389(2) .
C2 C11 1.504(2) .
C3 C4 1.385(2) .
C3 H3 0.9500 .
C4 C5 1.393(2) .
C4 H4 0.9500 .
C5 C6 1.489(2) .
C6 C7 1.393(2) .
C7 C8 1.389(2) .
C7 H7 0.9500 .
C8 C9 1.391(2) .
C8 H8 0.9500 .
C9 C10 1.392(2) .
C9 C12 1.507(2) .
C10 H10 0.9500 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C19 1.5264(19) .
C13 C18 1.5322(19) .
C13 C14 1.538(2) .
C13 H13 1.0000 .
C14 C15 1.5323(19) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.5329(19) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C20 1.5216(19) .
C16 C17 1.543(2) .
C16 H16 1.0000 .
C17 C18 1.5319(19) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
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
O5 H5A O4 0.849(10) 1.909(10) 2.7423(16) 167(2) 4_575
O5 H5B O3 0.847(10) 1.902(10) 2.7418(16) 171.4(19) .
O6 H6A O5 0.856(16) 1.842(17) 2.697(2) 177(3) .
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
C5 N1 C1 C2 -1.1(2) .
Cd01 N1 C1 C2 178.96(11) .
N1 C1 C2 C3 0.9(2) .
N1 C1 C2 C11 179.79(14) .
C1 C2 C3 C4 0.1(2) .
C11 C2 C3 C4 -178.76(14) .
C2 C3 C4 C5 -0.8(2) .
C1 N1 C5 C4 0.3(2) .
Cd01 N1 C5 C4 -179.79(10) .
C1 N1 C5 C6 -179.33(13) .
Cd01 N1 C5 C6 0.60(16) .
C3 C4 C5 N1 0.7(2) .
C3 C4 C5 C6 -179.76(13) .
C10 N2 C6 C7 0.0(2) .
Cd01 N2 C6 C7 -177.10(10) .
C10 N2 C6 C5 -179.28(12) .
Cd01 N2 C6 C5 3.61(16) .
N1 C5 C6 N2 -2.81(19) .
C4 C5 C6 N2 177.59(13) .
N1 C5 C6 C7 177.92(13) .
C4 C5 C6 C7 -1.7(2) .
N2 C6 C7 C8 -0.4(2) .
C5 C6 C7 C8 178.86(13) .
C6 C7 C8 C9 0.1(2) .
C7 C8 C9 C10 0.5(2) .
C7 C8 C9 C12 179.85(14) .
C6 N2 C10 C9 0.7(2) .
Cd01 N2 C10 C9 177.63(11) .
C8 C9 C10 N2 -0.9(2) .
C12 C9 C10 N2 179.73(14) .
C19 C13 C14 C15 70.53(15) .
C18 C13 C14 C15 -55.94(15) .
C13 C14 C15 C16 59.88(15) .
C14 C15 C16 C20 179.10(12) .
C14 C15 C16 C17 -58.48(15) .
C20 C16 C17 C18 179.88(12) .
C15 C16 C17 C18 54.83(15) .
C16 C17 C18 C13 -52.49(16) .
C19 C13 C18 C17 -72.56(16) .
C14 C13 C18 C17 52.33(16) .
Cd01 O2 C19 O1 -2.23(12) .
Cd01 O2 C19 C13 178.04(12) .
Cd01 O1 C19 O2 2.55(14) .
Cd01 O1 C19 O2 -146.82(13) 3_567
Cd01 O1 C19 C13 -177.70(10) .
Cd01 O1 C19 C13 32.9(2) 3_567
C18 C13 C19 O2 -1.40(19) .
C14 C13 C19 O2 -126.06(14) .
C18 C13 C19 O1 178.86(12) .
C14 C13 C19 O1 54.19(16) .
Cd01 O4 C20 O3 -6.41(14) 4_575
Cd01 O4 C20 C16 170.63(12) 4_575
Cd01 O3 C20 O4 6.72(14) 4_575
Cd01 O3 C20 C16 -170.41(11) 4_575
C15 C16 C20 O4 37.05(19) .
C17 C16 C20 O4 -85.93(16) .
C15 C16 C20 O3 -145.83(13) .
C17 C16 C20 O3 91.19(15) .
