#------------------------------------------------------------------------------
#$Date: 2019-11-07 22:39:14 +0200 (Thu, 07 Nov 2019) $
#$Revision: 223831 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/97/7049716.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_7049716
loop_
_publ_author_name
'Zhu, Li-Na'
'Deng, Zhao-Peng'
'Ng, Seik Weng'
'Huo, Li-Hua'
'Gao, Shan'
_publ_section_title
;
 Cd(ii) coordination polymers constructed from bis(pyridyl) ligands with
 an asymmetric spacer in chelating mode and diverse organic
 dicarboxylates: syntheses, structural evolutions and properties.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7589
_journal_page_last               7601
_journal_paper_doi               10.1039/c9dt00840c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'Cd (C15 H20 N4) (C8 H4 O4), (H2 O)'
_chemical_formula_sum            'C23 H26 Cd N4 O5'
_chemical_formula_weight         550.88
_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'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-04-01 deposited with the CCDC.    2019-04-14 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.575(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2947(10)
_cell_length_b                   18.4510(10)
_cell_length_c                   11.4731(12)
_cell_measurement_reflns_used    2149
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      26.6960
_cell_measurement_theta_min      3.6780
_cell_volume                     2342.4(4)
_computing_cell_refinement
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_collection
;
CrysAlis Pro (Agilent, 2013)
;
_computing_data_reduction
;
CrysAlis Pro (Agilent, 2013)
;
_computing_molecular_graphics    '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_publication_material  '(K. Brandenburg, Diamond 3.1, 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 16.1954
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.855
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_unetI/netI     0.0948
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.855
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10009
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.855
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.103
_diffrn_reflns_theta_min         3.196
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.974
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.96123
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlis Pro (Agilent, 2013)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm. 
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_description       prism
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.140
_refine_diff_density_max         0.686
_refine_diff_density_min         -0.649
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5888
_refine_ls_number_restraints     166
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.1180
_refine_ls_R_factor_gt           0.0623
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0626P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1350
_refine_ls_wR_factor_ref         0.1670
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3301
_reflns_number_total             5888
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00840c2.cif
_cod_data_source_block           d10040
_cod_depositor_comments
'Adding full bibliography for 7049708--7049720.cif.'
_cod_database_code               7049716
_shelx_shelxl_version_number     2018/3
_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   0.822
_shelx_estimated_absorpt_t_max   0.876
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
Cd1 Cd 0.64797(4) 0.78373(2) 0.34882(4) 0.04900(18) Uani 1 1 d D . . . .
O1 O 0.7373(5) 0.9023(3) 0.3338(5) 0.0816(15) Uani 1 1 d . . . . .
O2 O 0.8283(4) 0.8309(2) 0.4766(5) 0.0793(15) Uani 1 1 d . . . . .
O3 O 0.5693(4) 0.6753(2) 0.3841(4) 0.0760(15) Uani 1 1 d . . . . .
O4 O 0.7256(4) 0.6037(3) 0.3778(5) 0.0811(15) Uani 1 1 d . . . . .
O1W O 0.8931(8) 0.4977(4) 0.3527(9) 0.217(5) Uani 1 1 d . . . . .
H11 H 0.857628 0.469454 0.299474 0.325 Uiso 1 1 d R U . . .
H12 H 0.844439 0.530484 0.362434 0.325 Uiso 1 1 d R U . . .
N2 N 0.5290(7) 0.7790(5) 0.1572(7) 0.058(2) Uani 0.5 1 d D U P A 1
H2 H 0.486128 0.739412 0.159898 0.069 Uiso 0.5 1 calc R U P A 1
N3 N 0.7705(11) 0.7224(9) 0.2408(11) 0.048(3) Uani 0.5 1 d D U P A 1
H3 H 0.790356 0.681026 0.277794 0.058 Uiso 0.5 1 calc R U P A 1
N1 N 0.1971(14) 0.8053(9) 0.2937(13) 0.127(5) Uani 0.5 1 d G U P A 1
C1 C 0.1868(13) 0.8746(10) 0.3379(11) 0.126(4) Uani 0.5 1 d G U P A 1
H1 H 0.132614 0.883574 0.387434 0.151 Uiso 0.5 1 calc R U P A 1
C2 C 0.2574(14) 0.9306(8) 0.3080(11) 0.107(5) Uani 0.5 1 d G U P A 1
H2A H 0.250522 0.977053 0.337520 0.129 Uiso 0.5 1 calc R U P A 1
C3 C 0.3384(12) 0.9173(6) 0.2339(11) 0.091(4) Uani 0.5 1 d DG U P A 1
H3A H 0.385687 0.954773 0.213845 0.109 Uiso 0.5 1 calc R U P A 1
C4 C 0.3488(9) 0.8479(6) 0.1897(8) 0.073(3) Uani 0.5 1 d DG U P A 1
C5 C 0.2781(13) 0.7919(6) 0.2196(11) 0.103(5) Uani 0.5 1 d DG U P A 1
H5 H 0.285039 0.745533 0.189995 0.123 Uiso 0.5 1 calc R U P A 1
C6 C 0.4351(11) 0.8332(7) 0.1094(12) 0.083(4) Uani 0.5 1 d D U P A 1
H6A H 0.389913 0.816243 0.033380 0.099 Uiso 0.5 1 calc R U P A 1
H6B H 0.474335 0.878260 0.095466 0.099 Uiso 0.5 1 calc R U P A 1
C7 C 0.5989(11) 0.7608(7) 0.0661(11) 0.087(4) Uani 0.5 1 d D U P A 1
H7 H 0.548199 0.743752 -0.008369 0.104 Uiso 0.5 1 calc R U P A 1
C8 C 0.6762(16) 0.8228(8) 0.0486(15) 0.126(6) Uani 0.5 1 d D U P A 1
H8A H 0.721764 0.810799 -0.010951 0.189 Uiso 0.5 1 calc R U P A 1
H8B H 0.626517 0.864346 0.023302 0.189 Uiso 0.5 1 calc R U P A 1
H8C H 0.730699 0.833589 0.122163 0.189 Uiso 0.5 1 calc R U P A 1
C9 C 0.6888(12) 0.7042(7) 0.1252(12) 0.089(4) Uani 0.5 1 d D U P A 1
H9A H 0.643428 0.661214 0.137678 0.106 Uiso 0.5 1 calc R U P A 1
H9B H 0.739206 0.691165 0.069203 0.106 Uiso 0.5 1 calc R U P A 1
C10 C 0.8836(13) 0.7533(8) 0.2144(16) 0.057(3) Uani 0.5 1 d D U P A 1
H10A H 0.934567 0.769190 0.288364 0.069 Uiso 0.5 1 calc R U P A 1
H10B H 0.863518 0.795575 0.164148 0.069 Uiso 0.5 1 calc R U P A 1
C11 C 0.9536(10) 0.7013(6) 0.1541(11) 0.074(2) Uani 0.5 1 d DG U P A 1
C12 C 0.9921(16) 0.7224(7) 0.0514(14) 0.056(2) Uani 0.5 1 d DG U P A 1
H12A H 0.974267 0.768661 0.020546 0.067 Uiso 0.5 1 calc R U P A 1
N4 N 1.0571(18) 0.6745(9) -0.0050(13) 0.0706(17) Uani 0.5 1 d G U P A 1
C13 C 1.0837(13) 0.6054(8) 0.0411(12) 0.091(4) Uani 0.5 1 d G U P A 1
H13 H 1.127188 0.573336 0.003370 0.109 Uiso 0.5 1 calc R U P A 1
C14 C 1.0453(11) 0.5843(7) 0.1438(11) 0.094(4) Uani 0.5 1 d G U P A 1
H14 H 1.063068 0.538026 0.174663 0.113 Uiso 0.5 1 calc R U P A 1
C15 C 0.9802(10) 0.6322(6) 0.2002(10) 0.085(4) Uani 0.5 1 d DG U P A 1
H15 H 0.954546 0.618034 0.268899 0.102 Uiso 0.5 1 calc R U P A 1
N2' N 0.5431(7) 0.8280(5) 0.1649(7) 0.058(2) Uani 0.5 1 d D . P A 2
H2' H 0.536090 0.874884 0.175724 0.069 Uiso 0.5 1 calc R U P A 2
N3' N 0.7553(11) 0.7364(9) 0.2128(9) 0.048(3) Uani 0.5 1 d D . P A 2
H3' H 0.743540 0.689963 0.223497 0.058 Uiso 0.5 1 calc R U P A 2
N1' N 0.2093(15) 0.8126(9) 0.3474(11) 0.127(5) Uani 0.5 1 d G . P A 2
C1' C 0.1742(13) 0.8849(10) 0.3370(11) 0.126(4) Uani 0.5 1 d G . P A 2
H1' H 0.121244 0.902946 0.382378 0.151 Uiso 0.5 1 calc R U P A 2
C2' C 0.2182(14) 0.9302(7) 0.2587(12) 0.107(5) Uani 0.5 1 d G . P A 2
H2'A H 0.194725 0.978604 0.251763 0.129 Uiso 0.5 1 calc R U P A 2
C3' C 0.2974(11) 0.9033(6) 0.1909(10) 0.091(4) Uani 0.5 1 d DG . P A 2
H3'A H 0.326856 0.933598 0.138535 0.109 Uiso 0.5 1 calc R U P A 2
C4' C 0.3325(8) 0.8310(6) 0.2013(9) 0.073(3) Uani 0.5 1 d DG . P A 2
C5' C 0.2885(13) 0.7856(6) 0.2796(11) 0.103(5) Uani 0.5 1 d DG . P A 2
H5' H 0.312026 0.737274 0.286537 0.123 Uiso 0.5 1 calc R U P A 2
C6' C 0.4168(10) 0.8012(8) 0.1285(13) 0.083(4) Uani 0.5 1 d D . P A 2
H6'A H 0.417112 0.748715 0.134418 0.099 Uiso 0.5 1 calc R U P A 2
H6'B H 0.386774 0.813778 0.045767 0.099 Uiso 0.5 1 calc R U P A 2
C7' C 0.6332(12) 0.8212(7) 0.0894(10) 0.087(4) Uani 0.5 1 d D . P A 2
H7' H 0.702591 0.852141 0.121803 0.104 Uiso 0.5 1 calc R U P A 2
C8' C 0.5841(16) 0.8435(9) -0.0309(9) 0.126(6) Uani 0.5 1 d D . P A 2
H8'A H 0.558728 0.893178 -0.031130 0.189 Uiso 0.5 1 calc R U P A 2
H8'B H 0.644876 0.838717 -0.078115 0.189 Uiso 0.5 1 calc R U P A 2
H8'C H 0.516101 0.813530 -0.063488 0.189 Uiso 0.5 1 calc R U P A 2
C9' C 0.6732(14) 0.7459(7) 0.0942(11) 0.089(4) Uani 0.5 1 d D . P A 2
H9'A H 0.715887 0.735863 0.030631 0.106 Uiso 0.5 1 calc R U P A 2
H9'B H 0.604550 0.713417 0.086373 0.106 Uiso 0.5 1 calc R U P A 2
C10' C 0.8902(12) 0.7371(8) 0.2383(15) 0.057(3) Uani 0.5 1 d D . P A 2
H10C H 0.919576 0.721581 0.319784 0.069 Uiso 0.5 1 calc R U P A 2
H10D H 0.917899 0.786362 0.231104 0.069 Uiso 0.5 1 calc R U P A 2
C11' C 0.9429(9) 0.6890(6) 0.1566(11) 0.074(2) Uani 0.5 1 d DG . P A 2
C12' C 1.0023(15) 0.7196(7) 0.0736(14) 0.056(2) Uani 0.5 1 d DG . P A 2
H12' H 1.009216 0.769653 0.068907 0.067 Uiso 0.5 1 calc R U P A 2
N4' N 1.0514(17) 0.6752(9) -0.0025(14) 0.0706(17) Uani 0.5 1 d G . P A 2
C13' C 1.0411(13) 0.6004(9) 0.0045(11) 0.091(4) Uani 0.5 1 d G . P A 2
H13' H 1.073899 0.570694 -0.046375 0.109 Uiso 0.5 1 calc R U P A 2
C14' C 0.9816(11) 0.5698(7) 0.0876(11) 0.094(4) Uani 0.5 1 d G . P A 2
H14' H 0.974738 0.519729 0.092233 0.113 Uiso 0.5 1 calc R U P A 2
C15' C 0.9326(10) 0.6142(6) 0.1636(10) 0.085(4) Uani 0.5 1 d DG . P A 2
H15' H 0.892815 0.593726 0.219179 0.102 Uiso 0.5 1 calc R U P A 2
C16 C 0.8202(6) 0.8895(4) 0.4212(7) 0.0617(18) Uani 1 1 d . . . . .
C17 C 0.9317(6) 1.0017(4) 0.3866(6) 0.0679(18) Uani 1 1 d . . . . .
H17 H 0.885878 1.003451 0.309682 0.082 Uiso 1 1 calc R U . . .
C18 C 0.9126(5) 0.9468(3) 0.4623(6) 0.0522(15) Uani 1 1 d . . . . .
C19 C 0.9818(6) 0.9461(4) 0.5760(7) 0.072(2) Uani 1 1 d . . . . .
H19 H 0.969785 0.909635 0.628486 0.087 Uiso 1 1 calc R U . . .
C20 C 0.6253(6) 0.6164(3) 0.4011(5) 0.0579(17) Uani 1 1 d . . . . .
C21 C 0.6109(6) 0.4895(3) 0.4778(7) 0.073(2) Uani 1 1 d . . . . .
H21A H 0.687316 0.481063 0.461857 0.088 Uiso 1 1 calc R U . . .
C22 C 0.5595(6) 0.5549(3) 0.4509(5) 0.0526(15) Uani 1 1 d . . . . .
C23 C 0.4448(6) 0.5656(3) 0.4722(7) 0.073(2) Uani 1 1 d . . . . .
H23 H 0.405381 0.609486 0.452870 0.088 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
O3 Cd1 N4 85.2(8) . 4_576
O3 Cd1 N3 87.8(5) . .
N4 Cd1 N3 164.5(12) 4_576 .
O3 Cd1 N3' 93.7(5) . .
O3 Cd1 N2 87.9(3) . .
N4 Cd1 N2 116.6(13) 4_576 .
N3 Cd1 N2 76.8(4) . .
O3 Cd1 N2' 108.9(3) . .
N3' Cd1 N2' 76.4(4) . .
O3 Cd1 O2 121.58(19) . .
N4 Cd1 O2 83.1(12) 4_576 .
N3 Cd1 O2 88.8(4) . .
N3' Cd1 O2 93.0(4) . .
N2 Cd1 O2 147.0(3) . .
N2' Cd1 O2 129.1(3) . .
O3 Cd1 O1 173.87(17) . .
N4 Cd1 O1 90.2(8) 4_576 .
N3 Cd1 O1 95.7(5) . .
N3' Cd1 O1 90.6(5) . .
N2 Cd1 O1 97.8(3) . .
N2' Cd1 O1 76.4(3) . .
O2 Cd1 O1 53.70(17) . .
C16 O1 Cd1 91.6(4) . .
C16 O2 Cd1 92.1(5) . .
C20 O3 Cd1 126.3(4) . .
C7 N2 C6 109.7(8) . .
C7 N2 Cd1 112.9(6) . .
C6 N2 Cd1 123.8(8) . .
C10 N3 C9 108.0(12) . .
C10 N3 Cd1 123.3(10) . .
C9 N3 Cd1 104.7(7) . .
C1 N1 C5 120.0 . .
N1 C1 C2 120.0 . .
C3 C2 C1 120.0 . .
C2 C3 C4 120.0 . .
C3 C4 C5 120.0 . .
C3 C4 C6 120.3(4) . .
C5 C4 C6 119.7(4) . .
C4 C5 N1 120.0 . .
N2 C6 C4 113.7(8) . .
N2 C7 C8 109.7(9) . .
N2 C7 C9 104.2(8) . .
C8 C7 C9 103.5(8) . .
N3 C9 C7 118.7(11) . .
N3 C10 C11 113.8(7) . .
C12 C11 C15 120.0 . .
C12 C11 C10 119.7(4) . .
C15 C11 C10 120.3(4) . .
C11 C12 N4 120.0 . .
C13 N4 C12 120.0 . .
C13 N4 Cd1 119.9(7) . 4_675
C12 N4 Cd1 119.2(7) . 4_675
N4 C13 C14 120.0 . .
C15 C14 C13 120.0 . .
C14 C15 C11 120.0 . .
C7' N2' C6' 123.0(9) . .
C7' N2' Cd1 102.5(6) . .
C6' N2' Cd1 114.8(8) . .
C10' N3' C9' 126.9(11) . .
C10' N3' Cd1 120.9(9) . .
C9' N3' Cd1 104.7(7) . .
C1' N1' C5' 120.0 . .
C2' C1' N1' 120.0 . .
C1' C2' C3' 120.0 . .
C2' C3' C4' 120.0 . .
C3' C4' C5' 120.0 . .
C3' C4' C6' 120.6(4) . .
C5' C4' C6' 119.4(4) . .
C4' C5' N1' 120.0 . .
N2' C6' C4' 113.8(8) . .
C8' C7' C9' 111.4(9) . .
C8' C7' N2' 111.2(8) . .
C9' C7' N2' 107.7(8) . .
C7' C9' N3' 106.1(11) . .
N3' C10' C11' 113.0(8) . .
C12' C11' C15' 120.0 . .
C12' C11' C10' 119.7(4) . .
C15' C11' C10' 120.3(4) . .
C11' C12' N4' 120.0 . .
C12' N4' C13' 120.0 . .
N4' C13' C14' 120.0 . .
C13' C14' C15' 120.0 . .
C14' C15' C11' 120.0 . .
O2 C16 O1 122.6(7) . .
O2 C16 C18 118.5(7) . .
O1 C16 C18 118.9(7) . .
C19 C17 C18 120.6(7) 3_776 .
C17 C18 C19 118.2(6) . .
C17 C18 C16 120.6(7) . .
C19 C18 C16 121.2(6) . .
C17 C19 C18 121.2(6) 3_776 .
O4 C20 O3 126.0(6) . .
O4 C20 C22 118.3(6) . .
O3 C20 C22 115.7(6) . .
C22 C21 C23 122.9(6) . 3_666
C21 C22 C23 117.6(5) . .
C21 C22 C20 122.0(6) . .
C23 C22 C20 120.3(6) . .
C21 C23 C22 119.5(6) 3_666 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O3 2.257(4) .
Cd1 N4 2.27(4) 4_576
Cd1 N3 2.329(7) .
Cd1 N3' 2.330(7) .
Cd1 N2 2.337(8) .
Cd1 N2' 2.349(7) .
Cd1 O2 2.420(5) .
Cd1 O1 2.430(5) .
O1 C16 1.249(8) .
O2 C16 1.248(8) .
O3 C20 1.253(7) .
O4 C20 1.237(7) .
N2 C7 1.470(9) .
N2 C6 1.482(9) .
N3 C10 1.484(9) .
N3 C9 1.494(9) .
N1 C1 1.3900 .
N1 C5 1.3900 .
C1 C2 1.3900 .
C2 C3 1.3900 .
C3 C4 1.3900 .
C4 C5 1.3900 .
C4 C6 1.494(7) .
C7 C8 1.477(9) .
C7 C9 1.519(9) .
C10 C11 1.499(6) .
C11 C12 1.3900 .
C11 C15 1.3900 .
C12 N4 1.3900 .
N4 C13 1.3900 .
C13 C14 1.3900 .
C14 C15 1.3900 .
N2' C7' 1.469(9) .
N2' C6' 1.488(9) .
N3' C10' 1.492(9) .
N3' C9' 1.495(9) .
N1' C1' 1.3900 .
N1' C5' 1.3900 .
C1' C2' 1.3900 .
C2' C3' 1.3900 .
C3' C4' 1.3900 .
C4' C5' 1.3900 .
C4' C6' 1.492(7) .
C7' C8' 1.439(9) .
C7' C9' 1.458(9) .
C10' C11' 1.498(6) .
C11' C12' 1.3900 .
C11' C15' 1.3900 .
C12' N4' 1.3900 .
N4' C13' 1.3900 .
C13' C14' 1.3900 .
C14' C15' 1.3900 .
C16 C18 1.493(8) .
C17 C19 1.378(8) 3_776
C17 C18 1.379(8) .
C18 C19 1.380(9) .
C20 C22 1.530(8) .
C21 C22 1.349(8) .
C21 C23 1.379(8) 3_666
C22 C23 1.379(8) .
