#------------------------------------------------------------------------------
#$Date: 2019-11-08 04:31:29 +0200 (Fri, 08 Nov 2019) $
#$Revision: 225371 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/50/7235002.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_7235002
loop_
_publ_author_name
'Yang, Xiang-Kai'
'Chen, Jhy-Der'
_publ_section_title
;
 Crystal-to-Crystal Transformation and Linker Exchange in Cd(II)
 Coordination Polymers Based on Flexible Bis-pyridyl-bis-amide and
 1,4-Naphthalenedicarboxylate
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C9CE01332F
_journal_year                    2019
_chemical_formula_moiety         'C32 H32 Cd N4 O6, 2H2O'
_chemical_formula_sum            'C32 H36 Cd N4 O8'
_chemical_formula_weight         717.05
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-10-09 deposited with the CCDC.	2019-11-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.3780(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.1473(2)
_cell_length_b                   20.5033(3)
_cell_length_c                   15.2045(2)
_cell_measurement_reflns_used    9912
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.24
_cell_volume                     3157.85(9)
_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      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0164
_diffrn_reflns_av_unetI/netI     0.0174
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25414
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.323
_diffrn_reflns_theta_min         1.669
_exptl_absorpt_coefficient_mu    0.748
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6681
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2008/1(bruker axs, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.508
_exptl_crystal_description       Block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.431
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         7855
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0471P)²+2.5265P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0863
_refine_ls_wR_factor_ref         0.0901
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6954
_reflns_number_total             7855
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01332f2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'multi_scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7235002
_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   0.706
_shelx_estimated_absorpt_t_max   0.929
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd Cd 0.44332(2) 0.68199(2) 0.69397(2) 0.02941(6) Uani 1 1 d . . . . .
N1 N 0.5886(2) 0.66527(10) 0.81876(13) 0.0383(4) Uani 1 1 d . . . . .
O1 O 0.7786(2) 0.80982(10) 1.07020(14) 0.0557(5) Uani 1 1 d . . . . .
C1 C 0.6892(2) 0.70547(12) 0.83852(16) 0.0416(5) Uani 1 1 d . . . . .
H1A H 0.7046 0.7392 0.7995 0.050 Uiso 1 1 calc R U . . .
N2 N 0.8397(3) 0.81433(11) 0.93075(16) 0.0519(6) Uani 1 1 d . . . . .
H2A H 0.8466 0.8375 0.8841 0.062 Uiso 1 1 calc R U . . .
O2 O 0.8776(3) 0.83192(13) 0.59327(15) 0.0726(7) Uani 1 1 d . . . . .
C2 C 0.7721(2) 0.69991(13) 0.91373(17) 0.0422(5) Uani 1 1 d . . . . .
N3 N 0.59536(19) 0.65856(9) 0.58970(13) 0.0363(4) Uani 1 1 d . . . . .
O3 O 0.3620(2) 0.77609(8) 0.73610(13) 0.0497(4) Uani 1 1 d . . . . .
C3 C 0.7471(3) 0.65061(15) 0.97181(19) 0.0543(7) Uani 1 1 d . . . . .
H3A H 0.7998 0.6456 1.0235 0.065 Uiso 1 1 calc R U . . .
N4 N 0.7962(3) 0.81083(10) 0.45704(15) 0.0487(5) Uani 1 1 d . . . . .
H4B H 0.7499 0.8249 0.4118 0.058 Uiso 1 1 calc R U . . .
O4. O 0.5369(3) 0.80554(10) 0.66995(17) 0.0693(7) Uani 1 1 d . . . . .
C4 C 0.6429(3) 0.60867(16) 0.9526(2) 0.0597(8) Uani 1 1 d . . . . .
H4A H 0.6243 0.5752 0.9912 0.072 Uiso 1 1 calc R U . . .
O5 O 0.2470(2) 1.12970(8) 0.72123(13) 0.0518(5) Uani 1 1 d . . . . .
C5 C 0.5676(3) 0.61708(13) 0.87583(18) 0.0467(6) Uani 1 1 d . . . . .
H5A H 0.4987 0.5881 0.8627 0.056 Uiso 1 1 calc R U . . .
O6 O 0.11543(19) 1.07415(9) 0.80349(12) 0.0481(4) Uani 1 1 d . . . . .
C6 C 0.8847(3) 0.74691(14) 0.9312(2) 0.0562(7) Uani 1 1 d . . . . .
H6A H 0.9288 0.7371 0.9879 0.067 Uiso 1 1 calc R U . . .
H6B H 0.9481 0.7413 0.8865 0.067 Uiso 1 1 calc R U . . .
C7 C 0.7886(3) 0.84089(13) 1.00027(18) 0.0485(6) Uani 1 1 d . . . . .
C8 C 0.7442(3) 0.91033(14) 0.9913(2) 0.0591(7) Uani 1 1 d . . . . .
H8A H 0.7748 0.9280 0.9370 0.071 Uiso 1 1 calc R U . . .
H8B H 0.7850 0.9354 1.0397 0.071 Uiso 1 1 calc R U . . .
C9 C 0.5972(4) 0.91845(16) 0.9910(3) 0.0712(9) Uani 1 1 d . . . . .
H9A H 0.5625 0.8946 1.0397 0.085 Uiso 1 1 calc R U . . .
H9B H 0.5556 0.9019 0.9364 0.085 Uiso 1 1 calc R U . . .
C10 C 0.5690(4) 0.99231(19) 1.0002(3) 0.0813(11) Uani 1 1 d . . . . .
H10A H 0.6122 1.0079 1.0548 0.098 Uiso 1 1 calc R U . . .
H10B H 0.6072 1.0153 0.9521 0.098 Uiso 1 1 calc R U . . .
C11 C 0.5822(3) 0.60195(12) 0.54585(18) 0.0459(6) Uani 1 1 d . . . . .
H11A H 0.5275 0.5699 0.5670 0.055 Uiso 1 1 calc R U . . .
C12 C 0.6474(3) 0.58980(14) 0.4703(2) 0.0552(7) Uani 1 1 d . . . . .
H12A H 0.6343 0.5507 0.4400 0.066 Uiso 1 1 calc R U . . .
C13 C 0.7312(3) 0.63582(14) 0.44059(18) 0.0513(6) Uani 1 1 d . . . . .
H13A H 0.7755 0.6282 0.3898 0.062 Uiso 1 1 calc R U . . .
C14 C 0.7500(3) 0.69374(12) 0.48620(17) 0.0409(5) Uani 1 1 d . . . . .
C15 C 0.6781(2) 0.70313(12) 0.56021(16) 0.0380(5) Uani 1 1 d . . . . .
H15A H 0.6881 0.7423 0.5907 0.046 Uiso 1 1 calc R U . . .
C16 C 0.8459(3) 0.74434(13) 0.4563(2) 0.0558(7) Uani 1 1 d . . . . .
H16A H 0.9261 0.7420 0.4943 0.067 Uiso 1 1 calc R U . . .
H16B H 0.8690 0.7337 0.3970 0.067 Uiso 1 1 calc R U . . .
C17 C 0.8197(3) 0.85084(14) 0.52551(18) 0.0481(6) Uani 1 1 d . . . . .
C18 C 0.7693(3) 0.91982(13) 0.5143(2) 0.0532(7) Uani 1 1 d . . . . .
H18A H 0.8083 0.9391 0.4637 0.064 Uiso 1 1 calc R U . . .
H18B H 0.7989 0.9449 0.5658 0.064 Uiso 1 1 calc R U . . .
C19 C 0.6198(3) 0.92543(12) 0.50182(18) 0.0455(6) Uani 1 1 d . . . . .
H19A H 0.5905 0.9066 0.4455 0.055 Uiso 1 1 calc R U . . .
H19B H 0.5794 0.9009 0.5477 0.055 Uiso 1 1 calc R U . . .
C20 C 0.5748(3) 0.99608(12) 0.50505(17) 0.0446(5) Uani 1 1 d . . . . .
H20A H 0.6143 1.0202 0.4584 0.054 Uiso 1 1 calc R U . . .
H20B H 0.6066 1.0150 0.5608 0.054 Uiso 1 1 calc R U . . .
C21 C 0.3900(2) 0.88910(10) 0.71558(14) 0.0336(4) Uani 1 1 d . . . . .
C22 C 0.2564(2) 0.89893(11) 0.70945(16) 0.0391(5) Uani 1 1 d . . . . .
H22A H 0.2006 0.8638 0.6967 0.047 Uiso 1 1 calc R U . . .
C23 C 0.2019(2) 0.96091(11) 0.72201(16) 0.0384(5) Uani 1 1 d . . . . .
H23A H 0.1106 0.9659 0.7194 0.046 Uiso 1 1 calc R U . . .
C24 C 0.2811(2) 1.01396(10) 0.73805(14) 0.0342(4) Uani 1 1 d . . . . .
C25 C 0.4214(2) 1.00713(10) 0.74104(14) 0.0339(4) Uani 1 1 d . . . . .
C26 C 0.5077(3) 1.06066(12) 0.75697(17) 0.0464(6) Uani 1 1 d . . . . .
H26A H 0.4728 1.1022 0.7633 0.056 Uiso 1 1 calc R U . . .
C27 C 0.6418(3) 1.05205(15) 0.7633(2) 0.0559(7) Uani 1 1 d . . . . .
H27A H 0.6972 1.0878 0.7728 0.067 Uiso 1 1 calc R U . . .
C28 C 0.6959(3) 0.98915(15) 0.7554(2) 0.0537(7) Uani 1 1 d . . . . .
H28A H 0.7869 0.9835 0.7608 0.064 Uiso 1 1 calc R U . . .
C29 C 0.6159(3) 0.93653(13) 0.73973(16) 0.0432(5) Uani 1 1 d . . . . .
H29A H 0.6534 0.8954 0.7345 0.052 Uiso 1 1 calc R U . . .
C30 C 0.4772(2) 0.94320(10) 0.73132(14) 0.0334(4) Uani 1 1 d . . . . .
C31 C 0.4361(3) 0.81926(10) 0.70598(15) 0.0384(5) Uani 1 1 d . . . . .
C32 C 0.2123(3) 1.07787(11) 0.75529(15) 0.0390(5) Uani 1 1 d . . . . .
O7 O 0.9267(3) 0.86104(16) 0.76867(17) 0.0884(9) Uani 1 1 d . . . . .
H7C H 1.0087 0.8575 0.7827 0.106 Uiso 1 1 d R U . . .
H7D H 0.9148 0.8713 0.7146 0.106 Uiso 1 1 d R U . . .
O8 O 1.0379(9) 0.7335(6) 0.6907(11) 0.216(9) Uani 0.5 1 d . . P A 1
O8' O 1.0986(8) 0.7511(4) 0.7684(10) 0.173(6) Uani 0.5 1 d . . P B 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
O3 Cd O6 137.41(7) . 2_546
O3 Cd N3 130.71(7) . .
O6 Cd N3 89.76(7) 2_546 .
O3 Cd N1 96.91(8) . .
O6 Cd N1 89.83(7) 2_546 .
N3 Cd N1 96.32(7) . .
O3 Cd O1 85.01(7) . 4_575
O6 Cd O1 84.99(7) 2_546 4_575
N3 Cd O1 86.59(7) . 4_575
N1 Cd O1 174.06(7) . 4_575
O3 Cd O5 85.16(6) . 2_546
O6 Cd O5 52.80(6) 2_546 2_546
N3 Cd O5 142.20(6) . 2_546
N1 Cd O5 89.34(7) . 2_546
O1 Cd O5 85.21(7) 4_575 2_546
C1 N1 C5 117.3(2) . .
C1 N1 Cd 121.72(16) . .
C5 N1 Cd 120.82(17) . .
C7 O1 Cd 122.26(18) . 4_676
N1 C1 C2 123.8(2) . .
N1 C1 H1A 118.1 . .
C2 C1 H1A 118.1 . .
C7 N2 C6 121.7(3) . .
C7 N2 H2A 119.2 . .
C6 N2 H2A 119.2 . .
C3 C2 C1 117.7(2) . .
C3 C2 C6 121.6(2) . .
C1 C2 C6 120.7(3) . .
C15 N3 C11 118.1(2) . .
C15 N3 Cd 122.85(15) . .
C11 N3 Cd 117.84(16) . .
C31 O3 Cd 105.43(15) . .
C2 C3 C4 119.3(3) . .
C2 C3 H3A 120.3 . .
C4 C3 H3A 120.3 . .
C17 N4 C16 122.4(3) . .
C17 N4 H4B 118.8 . .
C16 N4 H4B 118.8 . .
C5 C4 C3 119.0(3) . .
C5 C4 H4A 120.5 . .
C3 C4 H4A 120.5 . .
C32 O5 Cd 84.83(15) . 2_556
N1 C5 C4 122.9(3) . .
N1 C5 H5A 118.6 . .
C4 C5 H5A 118.6 . .
C32 O6 Cd 99.43(15) . 2_556
N2 C6 C2 111.9(2) . .
N2 C6 H6A 109.2 . .
C2 C6 H6A 109.2 . .
N2 C6 H6B 109.2 . .
C2 C6 H6B 109.2 . .
H6A C6 H6B 107.9 . .
O1 C7 N2 121.7(3) . .
O1 C7 C8 121.6(3) . .
N2 C7 C8 116.7(2) . .
C7 C8 C9 113.5(3) . .
C7 C8 H8A 108.9 . .
C9 C8 H8A 108.9 . .
C7 C8 H8B 108.9 . .
C9 C8 H8B 108.9 . .
H8A C8 H8B 107.7 . .
C8 C9 C10 107.3(3) . .
C8 C9 H9A 110.3 . .
C10 C9 H9A 110.3 . .
C8 C9 H9B 110.3 . .
C10 C9 H9B 110.3 . .
H9A C9 H9B 108.5 . .
C10 C10 C9 113.6(4) 3_677 .
C10 C10 H10A 108.9 3_677 .
C9 C10 H10A 108.9 . .
C10 C10 H10B 108.9 3_677 .
C9 C10 H10B 108.9 . .
H10A C10 H10B 107.7 . .
N3 C11 C12 122.1(2) . .
N3 C11 H11A 119.0 . .
C12 C11 H11A 119.0 . .
C13 C12 C11 119.2(3) . .
C13 C12 H12A 120.4 . .
C11 C12 H12A 120.4 . .
C12 C13 C14 119.9(2) . .
C12 C13 H13A 120.1 . .
C14 C13 H13A 120.1 . .
C13 C14 C15 117.5(2) . .
C13 C14 C16 120.8(2) . .
C15 C14 C16 121.8(2) . .
N3 C15 C14 123.2(2) . .
N3 C15 H15A 118.4 . .
C14 C15 H15A 118.4 . .
N4 C16 C14 114.3(2) . .
N4 C16 H16A 108.7 . .
C14 C16 H16A 108.7 . .
N4 C16 H16B 108.7 . .
C14 C16 H16B 108.7 . .
H16A C16 H16B 107.6 . .
O2 C17 N4 121.2(3) . .
O2 C17 C18 122.4(3) . .
N4 C17 C18 116.3(2) . .
C17 C18 C19 114.4(2) . .
C17 C18 H18A 108.7 . .
C19 C18 H18A 108.7 . .
C17 C18 H18B 108.7 . .
C19 C18 H18B 108.7 . .
H18A C18 H18B 107.6 . .
C20 C19 C18 111.5(2) . .
C20 C19 H19A 109.3 . .
C18 C19 H19A 109.3 . .
C20 C19 H19B 109.3 . .
C18 C19 H19B 109.3 . .
H19A C19 H19B 108.0 . .
C19 C20 C20 113.3(3) . 3_676
C19 C20 H20A 108.9 . .
C20 C20 H20A 108.9 3_676 .
C19 C20 H20B 108.9 . .
C20 C20 H20B 108.9 3_676 .
H20A C20 H20B 107.7 . .
C22 C21 C30 119.86(19) . .
C22 C21 C31 116.3(2) . .
C30 C21 C31 123.9(2) . .
C21 C22 C23 121.4(2) . .
C21 C22 H22A 119.3 . .
C23 C22 H22A 119.3 . .
C24 C23 C22 120.8(2) . .
C24 C23 H23A 119.6 . .
C22 C23 H23A 119.6 . .
C23 C24 C25 120.16(19) . .
C23 C24 C32 116.6(2) . .
C25 C24 C32 123.2(2) . .
C26 C25 C24 122.3(2) . .
C26 C25 C30 118.8(2) . .
C24 C25 C30 118.9(2) . .
C27 C26 C25 120.9(2) . .
C27 C26 H26A 119.6 . .
C25 C26 H26A 119.6 . .
C26 C27 C28 120.2(3) . .
C26 C27 H27A 119.9 . .
C28 C27 H27A 119.9 . .
C29 C28 C27 120.6(3) . .
C29 C28 H28A 119.7 . .
C27 C28 H28A 119.7 . .
C28 C29 C30 121.3(2) . .
C28 C29 H29A 119.4 . .
C30 C29 H29A 119.4 . .
C29 C30 C21 122.9(2) . .
C29 C30 C25 118.3(2) . .
C21 C30 C25 118.7(2) . .
O4. C31 O3 122.2(2) . .
O4. C31 C21 122.1(2) . .
O3 C31 C21 115.6(2) . .
O5 C32 O6 122.9(2) . .
O5 C32 C24 121.6(2) . .
O6 C32 C24 115.5(2) . .
H7C O7 H7D 110.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd O3 2.2084(16) .
Cd O6 2.2909(17) 2_546
Cd N3 2.3265(19) .
Cd N1 2.358(2) .
Cd O1 2.448(2) 4_575
Cd O5 2.614(2) 2_546
N1 C1 1.333(3) .
N1 C5 1.340(3) .
O1 C7 1.249(3) .
O1 Cd 2.448(2) 4_676
C1 C2 1.384(3) .
C1 H1A 0.9300 .
N2 C7 1.322(4) .
N2 C6 1.456(4) .
N2 H2A 0.8600 .
O2 C17 1.219(3) .
C2 C3 1.376(4) .
C2 C6 1.506(4) .
N3 C15 1.336(3) .
N3 C11 1.341(3) .
O3 C31 1.265(3) .
C3 C4 1.380(4) .
C3 H3A 0.9300 .
N4 C17 1.336(4) .
N4 C16 1.454(3) .
N4 H4B 0.8600 .
O4. C31 1.222(3) .
C4 C5 1.368(4) .
C4 H4A 0.9300 .
O5 C32 1.242(3) .
O5 Cd 2.614(2) 2_556
C5 H5A 0.9300 .
O6 C32 1.263(3) .
O6 Cd 2.2910(17) 2_556
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.497(4) .
C8 C9 1.501(5) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.549(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C10 1.435(8) 3_677
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.382(4) .
C11 H11A 0.9300 .
C12 C13 1.365(4) .
C12 H12A 0.9300 .
C13 C14 1.383(4) .
C13 H13A 0.9300 .
C14 C15 1.390(3) .
C14 C16 1.511(4) .
C15 H15A 0.9300 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.510(4) .
C18 C19 1.523(4) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.520(3) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 C20 1.525(5) 3_676
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.368(3) .
C21 C30 1.430(3) .
C21 C31 1.516(3) .
C22 C23 1.404(3) .
C22 H22A 0.9300 .
C23 C24 1.366(3) .
C23 H23A 0.9300 .
C24 C25 1.429(3) .
C24 C32 1.514(3) .
C25 C26 1.416(3) .
C25 C30 1.439(3) .
C26 C27 1.370(4) .
C26 H26A 0.9300 .
C27 C28 1.409(4) .
C27 H27A 0.9300 .
C28 C29 1.362(4) .
C28 H28A 0.9300 .
C29 C30 1.413(3) .
C29 H29A 0.9300 .
O7 H7C 0.8500 .
O7 H7D 0.8499 .
