#------------------------------------------------------------------------------
#$Date: 2019-11-08 04:31:29 +0200 (Fri, 08 Nov 2019) $
#$Revision: 225371 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/50/7235001.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_7235001
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         'C30 H30 Cd N4 O7, H2O'
_chemical_formula_sum            'C30 H32 Cd N4 O8'
_chemical_formula_weight         688.99
_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'
_atom_sites_solution_hydrogens   geom
_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                 106.7338(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.1391(3)
_cell_length_b                   15.8666(4)
_cell_length_c                   17.4481(5)
_cell_measurement_reflns_used    9537
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2.33
_cell_volume                     2953.18(14)
_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 0.999
_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  0.0220
_diffrn_reflns_av_unetI/netI     0.0186
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            29087
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.312
_diffrn_reflns_theta_min         1.909
_exptl_absorpt_coefficient_mu    0.797
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2008/1(bruker axs, 2008)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.550
_exptl_crystal_description       Block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.985
_refine_diff_density_min         -0.905
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         7341
_refine_ls_number_restraints     596
_refine_ls_restrained_S_all      1.146
_refine_ls_R_factor_all          0.0499
_refine_ls_R_factor_gt           0.0419
_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)+(0.0589P)²+4.1227P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1110
_refine_ls_wR_factor_ref         0.1181
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6221
_reflns_number_total             7341
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01332f2.cif
_cod_data_source_block           1
_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/c'
_cod_database_code               7235001
_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   0.741
_shelx_estimated_absorpt_t_max   0.925
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd Cd 0.53089(2) 0.71865(2) 0.14323(2) 0.03496(8) Uani 1 1 d . . . . .
O1 O 0.9398(3) 0.9673(3) 0.18887(18) 0.0852(11) Uani 1 1 d . . . . .
O2 O 0.7159(6) 0.4417(5) 0.0602(4) 0.194(3) Uani 1 1 d . . . . .
O3 O 0.3373(2) 0.77790(18) 0.06489(16) 0.0559(7) Uani 1 1 d . . . . .
O4 O 0.3352(2) 0.69603(18) 0.16420(16) 0.0542(6) Uani 1 1 d . . . . .
O5 O -0.3264(4) 0.8157(4) 0.0148(4) 0.062(2) Uani 0.657(17) 1 d . . P . .
O5' O -0.3495(8) 0.7493(18) -0.0142(6) 0.102(9) Uani 0.343(17) 1 d . . P . .
O6 O -0.2927(2) 0.7265(2) 0.11206(19) 0.0749(10) Uani 1 1 d . . . . .
O7 O 0.4895(3) 0.6114(3) 0.0431(2) 0.1100(16) Uani 1 1 d . . . . .
O8 O -0.5594(15) 0.8810(12) -0.0227(10) 0.145(7) Uani 0.5 1 d . . P A 1
O8' O -0.5736(14) 0.8336(18) -0.0624(11) 0.243(16) Uani 0.5 1 d . . P B 2
N1 N 0.5861(2) 0.83446(18) 0.22745(17) 0.0444(6) Uani 1 1 d . . . . .
N2 N 0.7614(3) 1.03901(19) 0.1490(2) 0.0515(7) Uani 1 1 d . . . . .
H2A H 0.7045 1.0608 0.1098 0.062 Uiso 1 1 calc R U . . .
N3 N 0.6110(2) 0.61486(19) 0.23703(18) 0.0477(6) Uani 1 1 d . U . . .
N4 N 0.8599(4) 0.4439(3) 0.1774(3) 0.0903(12) Uani 1 1 d . U . . .
H4A H 0.9364 0.4571 0.2013 0.108 Uiso 1 1 calc R U . . .
C1 C 0.5548(4) 0.8403(3) 0.2956(2) 0.0570(7) Uani 1 1 d . U . . .
H1A H 0.5106 0.7962 0.3099 0.068 Uiso 1 1 calc R U . . .
C2 C 0.5856(4) 0.9090(3) 0.3454(3) 0.0624(8) Uani 1 1 d . U . . .
H2B H 0.5632 0.9110 0.3927 0.075 Uiso 1 1 calc R U . . .
C3 C 0.6498(4) 0.9747(3) 0.3244(2) 0.0578(8) Uani 1 1 d . U . . .
H3A H 0.6716 1.0216 0.3575 0.069 Uiso 1 1 calc R U . . .
C4 C 0.6818(3) 0.9707(2) 0.2536(2) 0.0480(6) Uani 1 1 d . U . . .
C5 C 0.6493(3) 0.8989(2) 0.2079(2) 0.0466(6) Uani 1 1 d . U . . .
H5A H 0.6724 0.8950 0.1609 0.056 Uiso 1 1 calc R U . . .
C6 C 0.7479(4) 1.0440(2) 0.2291(2) 0.0549(7) Uani 1 1 d . U . . .
H6A H 0.7022 1.0951 0.2330 0.066 Uiso 1 1 calc R U . . .
H6B H 0.8307 1.0489 0.2668 0.066 Uiso 1 1 calc R U . . .
C7 C 0.8593(3) 1.0016(2) 0.1349(2) 0.0515(7) Uani 1 1 d . U . . .
C8 C 0.8647(3) 1.0016(3) 0.0498(2) 0.0549(8) Uani 1 1 d . U . . .
H8A H 0.8239 1.0521 0.0233 0.066 Uiso 1 1 calc R U . . .
H8B H 0.8185 0.9534 0.0222 0.066 Uiso 1 1 calc R U . . .
C9 C 0.9978(3) 0.9984(3) 0.0432(2) 0.0535(8) Uani 1 1 d . U . . .
H9A H 1.0378 0.9469 0.0680 0.064 Uiso 1 1 calc R U . . .
H9B H 1.0450 1.0456 0.0724 0.064 Uiso 1 1 calc R U . . .
C10 C 0.5800(3) 0.6019(3) 0.3047(2) 0.0571(8) Uani 1 1 d . U . . .
H10A H 0.5336 0.6429 0.3217 0.069 Uiso 1 1 calc R U . . .
C11 C 0.6140(4) 0.5307(3) 0.3499(3) 0.0680(9) Uani 1 1 d . U . . .
H11A H 0.5923 0.5241 0.3972 0.082 Uiso 1 1 calc R U . . .
C12 C 0.6798(4) 0.4698(3) 0.3250(3) 0.0711(9) Uani 1 1 d . U . . .
H12A H 0.7021 0.4207 0.3548 0.085 Uiso 1 1 calc R U . . .
C13 C 0.7135(4) 0.4807(3) 0.2551(3) 0.0699(9) Uani 1 1 d . U . . .
C14 C 0.6787(4) 0.5551(3) 0.2145(3) 0.0632(8) Uani 1 1 d . U . . .
H14A H 0.7036 0.5645 0.1688 0.076 Uiso 1 1 calc R U . . .
C15 C 0.7825(5) 0.4141(4) 0.2233(4) 0.0925(10) Uani 1 1 d . U . . .
H15A H 0.8341 0.3822 0.2682 0.111 Uiso 1 1 calc R U . . .
H15B H 0.7214 0.3755 0.1905 0.111 Uiso 1 1 calc R U . . .
C16 C 0.8201(5) 0.4516(4) 0.1034(4) 0.1032(12) Uani 1 1 d D U . . .
C17 C 0.9389(5) 0.4706(8) 0.0825(5) 0.1085(17) Uani 0.543(8) 1 d D U P C 1
H17A H 0.9836 0.5136 0.1193 0.130 Uiso 0.543(8) 1 calc R U P C 1
H17B H 0.9902 0.4201 0.0930 0.130 Uiso 0.543(8) 1 calc R U P C 1
C18 C 0.9307(9) 0.4994(9) -0.0007(5) 0.1153(19) Uani 0.543(8) 1 d D U P C 1
H18A H 0.8935 0.5550 -0.0113 0.138 Uiso 0.543(8) 1 calc R U P C 1
H18B H 0.8827 0.4602 -0.0405 0.138 Uiso 0.543(8) 1 calc R U P C 1
C17' C 0.8833(9) 0.4991(7) 0.0515(7) 0.1100(17) Uani 0.457(8) 1 d D U P C 2
H17C H 0.8247 0.5024 -0.0017 0.132 Uiso 0.457(8) 1 calc R U P C 2
H17D H 0.8972 0.5563 0.0718 0.132 Uiso 0.457(8) 1 calc R U P C 2
C18' C 1.0053(9) 0.4668(9) 0.0428(8) 0.1102(17) Uiso 0.457(8) 1 d D U P C 2
H18C H 1.0037 0.4071 0.0306 0.132 Uiso 0.457(8) 1 calc R U P C 2
H18D H 1.0765 0.4801 0.0883 0.132 Uiso 0.457(8) 1 calc R U P C 2
C19 C 0.2780(2) 0.73874(19) 0.10469(17) 0.0333(5) Uani 1 1 d . U . . .
C20 C 0.1368(2) 0.74390(19) 0.08440(16) 0.0312(5) Uani 1 1 d . U . . .
C21 C 0.0867(3) 0.7342(2) 0.14697(18) 0.0366(5) Uani 1 1 d . U . . .
H21A H 0.1398 0.7241 0.1980 0.044 Uiso 1 1 calc R U . . .
C22 C -0.0427(3) 0.7393(2) 0.13561(18) 0.0387(5) Uani 1 1 d . U . . .
H22A H -0.0738 0.7332 0.1794 0.046 Uiso 1 1 calc R U . . .
C23 C -0.1244(2) 0.7530(2) 0.06145(18) 0.0351(5) Uani 1 1 d . U . . .
C24 C -0.0771(2) 0.7606(2) -0.00616(17) 0.0337(5) Uani 1 1 d . U . . .
C25 C 0.0559(2) 0.75663(19) 0.00580(16) 0.0317(5) Uani 1 1 d . U . . .
C26 C 0.1007(3) 0.7622(2) -0.06226(18) 0.0410(5) Uani 1 1 d . U . . .
H26A H 0.1865 0.7598 -0.0556 0.049 Uiso 1 1 calc R U . . .
C27 C 0.0204(3) 0.7709(3) -0.1374(2) 0.0502(7) Uani 1 1 d . U . . .
H27A H 0.0519 0.7749 -0.1811 0.060 Uiso 1 1 calc R U . . .
C28 C -0.1097(3) 0.7739(2) -0.1489(2) 0.0513(7) Uani 1 1 d . U . . .
H28A H -0.1639 0.7791 -0.2003 0.062 Uiso 1 1 calc R U . . .
C29 C -0.1567(3) 0.7692(2) -0.08549(19) 0.0442(6) Uani 1 1 d . U . . .
H29A H -0.2430 0.7718 -0.0942 0.053 Uiso 1 1 calc R U . . .
C30 C -0.2623(3) 0.7592(2) 0.0572(2) 0.0437(6) Uani 1 1 d . 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
O6 Cd N3 91.47(11) 1_655 .
O6 Cd N1 91.09(12) 1_655 .
N3 Cd N1 97.92(11) . .
O6 Cd O4 172.50(12) 1_655 .
N3 Cd O4 88.11(9) . .
N1 Cd O4 96.38(10) . .
O6 Cd O7 81.77(13) 1_655 .
N3 Cd O7 87.95(15) . .
N1 Cd O7 170.90(14) . .
O4 Cd O7 90.73(12) . .
O6 Cd O3 124.23(10) 1_655 .
N3 Cd O3 141.84(9) . .
N1 Cd O3 94.67(10) . .
O4 Cd O3 54.66(8) . .
O7 Cd O3 84.80(12) . .
O6 Cd C19 150.70(10) 1_655 .
N3 Cd C19 114.80(9) . .
N1 Cd C19 97.48(9) . .
O4 Cd C19 27.30(8) . .
O7 Cd C19 86.25(10) . .
O3 Cd C19 27.42(8) . .
C19 O3 Cd 91.20(18) . .
C19 O4 Cd 93.54(17) . .
O5' O5 C30 67.9(6) . .
O5 O5' C30 59.0(8) . .
C30 O6 Cd 133.8(2) . 1_455
C1 N1 C5 117.7(3) . .
C1 N1 Cd 122.0(2) . .
C5 N1 Cd 120.3(2) . .
C7 N2 C6 121.6(3) . .
C7 N2 H2A 119.2 . .
C6 N2 H2A 119.2 . .
C10 N3 C14 117.4(3) . .
C10 N3 Cd 126.1(2) . .
C14 N3 Cd 115.6(3) . .
C16 N4 C15 121.8(5) . .
C16 N4 H4A 119.1 . .
C15 N4 H4A 119.1 . .
N1 C1 C2 122.5(4) . .
N1 C1 H1A 118.8 . .
C2 C1 H1A 118.8 . .
C3 C2 C1 119.2(4) . .
C3 C2 H2B 120.4 . .
C1 C2 H2B 120.4 . .
C2 C3 C4 119.5(4) . .
C2 C3 H3A 120.3 . .
C4 C3 H3A 120.3 . .
C5 C4 C3 117.6(4) . .
C5 C4 C6 122.9(3) . .
C3 C4 C6 119.5(3) . .
N1 C5 C4 123.6(3) . .
N1 C5 H5A 118.2 . .
C4 C5 H5A 118.2 . .
N2 C6 C4 115.3(3) . .
N2 C6 H6A 108.4 . .
C4 C6 H6A 108.4 . .
N2 C6 H6B 108.4 . .
C4 C6 H6B 108.4 . .
H6A C6 H6B 107.5 . .
O1 C7 N2 120.9(4) . .
O1 C7 C8 122.1(3) . .
N2 C7 C8 117.0(3) . .
C7 C8 C9 113.1(3) . .
C7 C8 H8A 109.0 . .
C9 C8 H8A 109.0 . .
C7 C8 H8B 109.0 . .
C9 C8 H8B 109.0 . .
H8A C8 H8B 107.8 . .
C8 C9 C9 112.5(4) . 3_775
C8 C9 H9A 109.1 . .
C9 C9 H9A 109.1 3_775 .
C8 C9 H9B 109.1 . .
C9 C9 H9B 109.1 3_775 .
H9A C9 H9B 107.8 . .
N3 C10 C11 122.5(4) . .
N3 C10 H10A 118.8 . .
C11 C10 H10A 118.8 . .
C12 C11 C10 119.3(5) . .
C12 C11 H11A 120.4 . .
C10 C11 H11A 120.4 . .
C11 C12 C13 120.0(4) . .
C11 C12 H12A 120.0 . .
C13 C12 H12A 120.0 . .
C14 C13 C12 116.9(4) . .
C14 C13 C15 120.8(5) . .
C12 C13 C15 122.2(4) . .
N3 C14 C13 123.9(4) . .
N3 C14 H14A 118.1 . .
C13 C14 H14A 118.1 . .
N4 C15 C13 115.6(5) . .
N4 C15 H15A 108.4 . .
C13 C15 H15A 108.4 . .
N4 C15 H15B 108.4 . .
C13 C15 H15B 108.4 . .
H15A C15 H15B 107.4 . .
O2 C16 N4 129.1(6) . .
O2 C16 C17 129.4(6) . .
N4 C16 C17 101.3(5) . .
O2 C16 C17' 102.9(7) . .
N4 C16 C17' 126.0(8) . .
C18 C17 C16 119.01(12) . .
C18 C17 H17A 107.6 . .
C16 C17 H17A 107.6 . .
C18 C17 H17B 107.6 . .
C16 C17 H17B 107.6 . .
H17A C17 H17B 107.0 . .
C17 C18 C18 102.0(8) . 3_765
C17 C18 H18A 111.4 . .
C18 C18 H18A 111.4 3_765 .
C17 C18 H18B 111.4 . .
C18 C18 H18B 111.4 3_765 .
H18A C18 H18B 109.2 . .
C18' C17' C16 119.05(12) . .
C18' C17' H17C 107.6 . .
C16 C17' H17C 107.6 . .
C18' C17' H17D 107.6 . .
C16 C17' H17D 107.6 . .
H17C C17' H17D 107.0 . .
C17' C18' C18' 92.2(9) . 3_765
C17' C18' H18C 113.2 . .
C18' C18' H18C 113.2 3_765 .
C17' C18' H18D 113.2 . .
C18' C18' H18D 113.2 3_765 .
H18C C18' H18D 110.6 . .
O4 C19 O3 120.4(3) . .
O4 C19 C20 118.1(2) . .
O3 C19 C20 121.5(3) . .
O4 C19 Cd 59.16(14) . .
O3 C19 Cd 61.39(15) . .
C20 C19 Cd 176.3(2) . .
C21 C20 C25 119.6(2) . .
C21 C20 C19 116.2(2) . .
C25 C20 C19 124.2(2) . .
C20 C21 C22 121.3(3) . .
C20 C21 H21A 119.3 . .
C22 C21 H21A 119.3 . .
C23 C22 C21 121.4(3) . .
C23 C22 H22A 119.3 . .
C21 C22 H22A 119.3 . .
C22 C23 C24 119.4(2) . .
C22 C23 C30 116.3(3) . .
C24 C23 C30 124.2(3) . .
C29 C24 C23 122.6(2) . .
C29 C24 C25 118.3(3) . .
C23 C24 C25 119.1(2) . .
C26 C25 C20 122.6(2) . .
C26 C25 C24 118.2(2) . .
C20 C25 C24 119.2(2) . .
C27 C26 C25 121.3(3) . .
C27 C26 H26A 119.3 . .
C25 C26 H26A 119.3 . .
C26 C27 C28 120.3(3) . .
C26 C27 H27A 119.8 . .
C28 C27 H27A 119.8 . .
C29 C28 C27 120.4(3) . .
C29 C28 H28A 119.8 . .
C27 C28 H28A 119.8 . .
C28 C29 C24 121.5(3) . .
C28 C29 H29A 119.3 . .
C24 C29 H29A 119.3 . .
O6 C30 O5 122.0(3) . .
O6 C30 O5' 112.8(7) . .
O5 C30 O5' 53.1(9) . .
O6 C30 C23 116.1(3) . .
O5 C30 C23 118.2(3) . .
O5' C30 C23 119.1(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd O6 2.188(2) 1_655
Cd N3 2.312(3) .
Cd N1 2.322(3) .
Cd O4 2.340(2) .
Cd O7 2.387(3) .
Cd O3 2.388(2) .
Cd C19 2.720(3) .
O1 C7 1.226(5) .
O2 C16 1.198(7) .
O3 C19 1.253(4) .
O4 C19 1.250(4) .
O5 O5' 1.16(2) .
O5 C30 1.249(5) .
O5' C30 1.350(12) .
O6 C30 1.218(4) .
O6 Cd 2.188(2) 1_455
N1 C1 1.334(5) .
N1 C5 1.341(4) .
N2 C7 1.327(4) .
N2 C6 1.449(5) .
N2 H2A 0.8600 .
N3 C10 1.338(5) .
N3 C14 1.339(5) .
N4 C16 1.243(7) .
N4 C15 1.417(8) .
N4 H4A 0.8600 .
C1 C2 1.375(6) .
C1 H1A 0.9300 .
C2 C3 1.373(6) .
C2 H2B 0.9300 .
C3 C4 1.381(5) .
C3 H3A 0.9300 .
C4 C5 1.378(5) .
C4 C6 1.503(5) .
C5 H5A 0.9300 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.502(5) .
C8 C9 1.521(5) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C9 1.524(7) 3_775
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.367(6) .
C10 H10A 0.9300 .
C11 C12 1.358(7) .
C11 H11A 0.9300 .
C12 C13 1.386(7) .
C12 H12A 0.9300 .
C13 C14 1.374(6) .
C13 C15 1.504(7) .
C14 H14A 0.9300 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.5004(10) .
C16 C17' 1.5005(10) .
C17 C18 1.5004(10) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C18 1.536(18) 3_765
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C17' C18' 1.5004(10) .
C17' H17C 0.9700 .
C17' H17D 0.9700 .
C18' C18' 1.80(2) 3_765
C18' H18C 0.9700 .
C18' H18D 0.9700 .
C19 C20 1.511(3) .
C20 C21 1.370(4) .
C20 C25 1.422(4) .
C21 C22 1.400(4) .
C21 H21A 0.9300 .
C22 C23 1.368(4) .
C22 H22A 0.9300 .
C23 C24 1.428(4) .
C23 C30 1.520(4) .
C24 C29 1.419(4) .
C24 C25 1.437(3) .
C25 C26 1.417(4) .
C26 C27 1.364(5) .
C26 H26A 0.9300 .
C27 C28 1.405(5) .
C27 H27A 0.9300 .
C28 C29 1.355(5) .
C28 H28A 0.9300 .
C29 H29A 0.9300 .
