#------------------------------------------------------------------------------
#$Date: 2025-03-04 04:23:51 +0200 (Tue, 04 Mar 2025) $
#$Revision: 297956 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/25/00/7250069.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_7250069
loop_
_publ_author_name
'Chen, Wei-Hao'
'Chen, Yen-Hsin'
'Thapa, Kedar Bahadur'
'Liu, Shih-Miao'
'Chen, Jhy-Der'
_publ_section_title
;
 Coordination polymers constructed from bis-pyridyl-bis-amides and
 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal
 ion sensing
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              606
_journal_page_last               615
_journal_paper_doi               10.1039/D4CE01119H
_journal_volume                  27
_journal_year                    2025
_chemical_formula_sum            'C38 H18 Cd N4 O12'
_chemical_formula_weight         834.96
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2024-11-04 deposited with the CCDC.	2025-01-14 downloaded from the CCDC.
;
_cell_angle_alpha                97.2892(13)
_cell_angle_beta                 99.3233(13)
_cell_angle_gamma                105.7654(13)
_cell_formula_units_Z            2
_cell_length_a                   10.4465(6)
_cell_length_b                   12.6964(7)
_cell_length_c                   13.5740(8)
_cell_measurement_reflns_used    9873
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.16
_cell_measurement_theta_min      2.25
_cell_volume                     1681.84(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-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0649
_diffrn_reflns_av_unetI/netI     0.0614
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            33484
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.997
_diffrn_reflns_theta_min         1.545
_exptl_absorpt_coefficient_mu    0.725
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5482
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs v2008/1(bruker axs, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_description       plate
_exptl_crystal_F_000             836
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.562
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         6620
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0438
_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)+(0.0419P)²+0.9358P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0926
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5039
_reflns_number_total             6620
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce01119h2.cif
_cod_data_source_block           5a
_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/current/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 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_cell_volume        1681.83(17)
_cod_database_code               7250069
_shelx_shelxl_version_number     2017/1
_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   0.812
_shelx_estimated_absorpt_t_max   0.931
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.64605(3) 0.07170(2) -1.13258(2) 0.02931(10) Uani 1 1 d . . . . .
O1 O 0.7473(3) 0.1713(2) -1.5775(2) 0.0562(9) Uani 1 1 d . . . . .
O2 O 0.6910(3) 0.4263(2) -1.3370(2) 0.0690(10) Uani 1 1 d . . . . .
O3 O 1.2827(3) 0.2158(2) -1.2159(2) 0.0460(7) Uani 1 1 d . . . . .
O4 O 1.1496(3) 0.3066(3) -0.9224(2) 0.0624(9) Uani 1 1 d . . . . .
O5 O 0.7097(3) 0.2448(2) -1.0418(2) 0.0488(7) Uani 1 1 d . . . . .
O6 O 0.7114(3) 0.1587(2) -0.9091(2) 0.0508(8) Uani 1 1 d . . . . .
O7 O 0.4404(3) 0.1962(2) -0.9460(2) 0.0450(7) Uani 1 1 d . . . . .
O8 O 0.4353(3) 0.1117(2) -0.8110(2) 0.0505(8) Uani 1 1 d . . . . .
O9 O 0.6628(3) 0.6499(3) -0.5253(2) 0.0648(9) Uani 1 1 d . . . . .
O10 O 0.8373(3) 0.6908(2) -0.6037(2) 0.0550(8) Uani 1 1 d . . . . .
O11 O 1.0172(3) 0.7285(2) -0.6767(2) 0.0522(8) Uani 1 1 d . . . . .
O12 O 0.4385(2) 0.0473(2) -1.09989(19) 0.0368(6) Uani 1 1 d . . . . .
H13C H 0.408868 -0.017615 -1.086872 0.044 Uiso 1 1 d R U . . .
H13D H 0.442658 0.094125 -1.047930 0.044 Uiso 1 1 d R U . . .
N1 N 0.5801(3) 0.1100(2) -1.2901(2) 0.0314(7) Uani 1 1 d . . . . .
N2 N 0.7219(3) 0.2980(2) -1.4547(2) 0.0308(7) Uani 1 1 d . . . . .
N3 N 0.8644(3) 0.0682(3) -1.1249(2) 0.0340(7) Uani 1 1 d . . . . .
N4 N 1.2138(3) 0.2611(2) -1.0702(2) 0.0304(7) Uani 1 1 d . . . . .
C1 C 0.4539(4) 0.0620(3) -1.3431(3) 0.0371(9) Uani 1 1 d . . . . .
H1A H 0.393928 0.011094 -1.315733 0.045 Uiso 1 1 calc R U . . .
C2 C 0.4084(4) 0.0847(3) -1.4366(3) 0.0454(11) Uani 1 1 d . . . . .
H2A H 0.320277 0.047827 -1.472315 0.054 Uiso 1 1 calc R U . . .
C3 C 0.4943(4) 0.1623(3) -1.4768(3) 0.0414(10) Uani 1 1 d . . . . .
H3A H 0.465377 0.180151 -1.539244 0.050 Uiso 1 1 calc R U . . .
C4 C 0.6238(4) 0.2124(3) -1.4221(3) 0.0317(9) Uani 1 1 d . . . . .
C5 C 0.6641(4) 0.1837(3) -1.3304(3) 0.0345(9) Uani 1 1 d . . . . .
H5A H 0.753204 0.216853 -1.295060 0.041 Uiso 1 1 calc R U . . .
C6 C 0.7832(4) 0.2658(3) -1.5334(3) 0.0329(9) Uani 1 1 d . . . . .
C7 C 0.8962(4) 0.3538(3) -1.5546(3) 0.0278(8) Uani 1 1 d . . . . .
C8 C 0.9598(4) 0.3301(3) -1.6315(3) 0.0387(10) Uani 1 1 d . . . . .
H8A H 0.926848 0.260829 -1.673811 0.046 Uiso 1 1 calc R U . . .
C9 C 0.9429(3) 0.4600(3) -1.4924(2) 0.0243(8) Uani 1 1 d . . . . .
C10 C 0.8772(4) 0.4883(3) -1.4143(3) 0.0296(8) Uani 1 1 d . . . . .
C11 C 0.9262(4) 0.5910(3) -1.3530(3) 0.0400(10) Uani 1 1 d . . . . .
H11A H 0.883370 0.608315 -1.300926 0.048 Uiso 1 1 calc R U . . .
C12 C 0.7566(4) 0.4047(3) -1.3979(3) 0.0394(10) Uani 1 1 d . . . . .
C13 C 0.8899(4) -0.0301(3) -1.1394(3) 0.0427(10) Uani 1 1 d . . . . .
H13B H 0.817145 -0.095033 -1.154225 0.051 Uiso 1 1 calc R U . . .
C14 C 1.0192(4) -0.0386(4) -1.1331(3) 0.0494(11) Uani 1 1 d . . . . .
H14A H 1.033723 -0.107846 -1.143450 0.059 Uiso 1 1 calc R U . . .
C15 C 1.1271(4) 0.0578(3) -1.1111(3) 0.0439(11) Uani 1 1 d . . . . .
H15A H 1.215545 0.054364 -1.106942 0.053 Uiso 1 1 calc R U . . .
C16 C 1.1021(3) 0.1592(3) -1.0952(3) 0.0313(9) Uani 1 1 d . . . . .
C17 C 0.9701(4) 0.1606(3) -1.1029(3) 0.0346(9) Uani 1 1 d . . . . .
H17A H 0.953344 0.229043 -1.092195 0.042 Uiso 1 1 calc R U . . .
C18 C 1.3061(4) 0.2781(3) -1.1362(3) 0.0315(9) Uani 1 1 d . . . . .
C19 C 1.4276(3) 0.3770(3) -1.1040(3) 0.0272(8) Uani 1 1 d . . . . .
C20 C 1.5236(4) 0.3965(3) -1.1625(3) 0.0351(9) Uani 1 1 d . . . . .
H20A H 1.514342 0.345782 -1.220930 0.042 Uiso 1 1 calc R U . . .
C21 C 1.4434(3) 0.4517(3) -1.0140(2) 0.0248(8) Uani 1 1 d . . . . .
C22 C 1.3473(3) 0.4325(3) -0.9510(3) 0.0291(8) Uani 1 1 d . . . . .
C23 C 1.3646(4) 0.5078(3) -0.8648(3) 0.0386(10) Uani 1 1 d . . . . .
H23A H 1.300872 0.495161 -0.823754 0.046 Uiso 1 1 calc R U . . .
C24 C 1.2300(4) 0.3305(3) -0.9768(3) 0.0365(9) Uani 1 1 d . . . . .
C25 C 0.7168(3) 0.2420(3) -0.9485(3) 0.0361(9) Uani 1 1 d . . . . .
C26 C 0.7468(3) 0.3528(3) -0.8792(3) 0.0294(8) Uani 1 1 d . . . . .
C27 C 0.6750(3) 0.3757(3) -0.8018(3) 0.0260(8) Uani 1 1 d . . . . .
C28 C 0.5527(3) 0.3009(3) -0.7848(3) 0.0297(8) Uani 1 1 d . . . . .
C29 C 0.4721(4) 0.1933(3) -0.8549(3) 0.0344(9) Uani 1 1 d . . . . .
C30 C 0.4971(4) 0.3315(3) -0.7053(3) 0.0401(10) Uani 1 1 d . . . . .
H30A H 0.420533 0.281248 -0.693212 0.048 Uiso 1 1 calc R U . . .
C31 C 0.5502(4) 0.4346(3) -0.6419(3) 0.0413(10) Uani 1 1 d . . . . .
H31A H 0.508532 0.452927 -0.589422 0.050 Uiso 1 1 calc R U . . .
C32 C 0.6643(4) 0.5093(3) -0.6569(3) 0.0330(9) Uani 1 1 d . . . . .
C33 C 0.7292(4) 0.4807(3) -0.7353(3) 0.0288(8) Uani 1 1 d . . . . .
C34 C 0.8493(4) 0.5580(3) -0.7466(3) 0.0319(9) Uani 1 1 d . . . . .
C35 C 0.9127(4) 0.5334(3) -0.8234(3) 0.0392(10) Uani 1 1 d . . . . .
H35A H 0.991043 0.584823 -0.831431 0.047 Uiso 1 1 calc R U . . .
C36 C 0.8607(4) 0.4324(3) -0.8889(3) 0.0380(10) Uani 1 1 d . . . . .
H36A H 0.904323 0.417734 -0.941281 0.046 Uiso 1 1 calc R U . . .
C37 C 0.7161(4) 0.6191(4) -0.5906(3) 0.0453(11) Uani 1 1 d . . . . .
C38 C 0.9089(4) 0.6643(3) -0.6761(3) 0.0364(9) Uani 1 1 d . . . . .
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
_geom_angle_publ_flag
O12 Cd O8 82.21(9) . 2_653 ?
O12 Cd O5 89.03(9) . . ?
O8 Cd O5 165.97(11) 2_653 . ?
O12 Cd N3 162.19(10) . . ?
O8 Cd N3 91.78(10) 2_653 . ?
O5 Cd N3 93.33(10) . . ?
O12 Cd N1 92.14(10) . . ?
O8 Cd N1 92.23(11) 2_653 . ?
O5 Cd N1 99.07(11) . . ?
N3 Cd N1 104.88(11) . . ?
C25 O5 Cd 110.5(3) . . ?
C29 O8 Cd 132.7(3) . 2_653 ?
C38 O10 C37 123.7(3) . . ?
Cd O12 H13C 109.4 . . ?
Cd O12 H13D 109.3 . . ?
H13C O12 H13D 108.1 . . ?
C1 N1 C5 117.6(3) . . ?
C1 N1 Cd 120.6(2) . . ?
C5 N1 Cd 121.8(2) . . ?
C12 N2 C6 125.5(3) . . ?
C12 N2 C4 116.1(3) . . ?
C6 N2 C4 118.1(3) . . ?
C17 N3 C13 118.0(3) . . ?
C17 N3 Cd 122.6(2) . . ?
C13 N3 Cd 119.4(2) . . ?
C24 N4 C18 124.7(3) . . ?
C24 N4 C16 117.4(3) . . ?
C18 N4 C16 117.6(3) . . ?
N1 C1 C2 122.8(4) . . ?
N1 C1 H1A 118.6 . . ?
C2 C1 H1A 118.6 . . ?
C3 C2 C1 119.4(4) . . ?
C3 C2 H2A 120.3 . . ?
C1 C2 H2A 120.3 . . ?
C4 C3 C2 117.9(4) . . ?
C4 C3 H3A 121.0 . . ?
C2 C3 H3A 121.0 . . ?
C3 C4 C5 119.8(3) . . ?
C3 C4 N2 123.0(3) . . ?
C5 C4 N2 117.2(3) . . ?
N1 C5 C4 122.5(3) . . ?
N1 C5 H5A 118.8 . . ?
C4 C5 H5A 118.8 . . ?
O1 C6 N2 120.7(3) . . ?
O1 C6 C7 123.2(3) . . ?
N2 C6 C7 116.0(3) . . ?
C8 C7 C9 120.0(3) . . ?
C8 C7 C6 119.8(3) . . ?
C9 C7 C6 120.1(3) . . ?
C7 C8 C11 120.6(3) . 2_762 ?
C7 C8 H8A 119.7 . . ?
C11 C8 H8A 119.7 2_762 . ?
C9 C9 C7 119.9(4) 2_762 . ?
C9 C9 C10 118.7(4) 2_762 . ?
C7 C9 C10 121.4(3) . . ?
C11 C10 C9 120.5(3) . . ?
C11 C10 C12 120.3(3) . . ?
C9 C10 C12 119.2(3) . . ?
C10 C11 C8 120.3(3) . 2_762 ?
C10 C11 H11A 119.8 . . ?
C8 C11 H11A 119.8 2_762 . ?
O2 C12 N2 120.5(3) . . ?
O2 C12 C10 122.2(4) . . ?
N2 C12 C10 117.3(3) . . ?
N3 C13 C14 122.6(4) . . ?
N3 C13 H13B 118.7 . . ?
C14 C13 H13B 118.7 . . ?
C13 C14 C15 118.7(4) . . ?
C13 C14 H14A 120.6 . . ?
C15 C14 H14A 120.6 . . ?
C16 C15 C14 119.2(3) . . ?
C16 C15 H15A 120.4 . . ?
C14 C15 H15A 120.4 . . ?
C17 C16 C15 118.5(3) . . ?
C17 C16 N4 121.3(3) . . ?
C15 C16 N4 120.1(3) . . ?
N3 C17 C16 123.0(3) . . ?
N3 C17 H17A 118.5 . . ?
C16 C17 H17A 118.5 . . ?
O3 C18 N4 120.3(3) . . ?
O3 C18 C19 122.8(3) . . ?
N4 C18 C19 116.9(3) . . ?
C20 C19 C21 120.0(3) . . ?
C20 C19 C18 120.0(3) . . ?
C21 C19 C18 120.0(3) . . ?
C19 C20 C23 120.4(3) . 2_863 ?
C19 C20 H20A 119.8 . . ?
C23 C20 H20A 119.8 2_863 . ?
C19 C21 C22 121.2(3) . . ?
C19 C21 C21 119.7(4) . 2_863 ?
C22 C21 C21 119.1(4) . 2_863 ?
C23 C22 C21 119.7(3) . . ?
C23 C22 C24 120.0(3) . . ?
C21 C22 C24 120.3(3) . . ?
C22 C23 C20 121.1(3) . 2_863 ?
C22 C23 H23A 119.5 . . ?
C20 C23 H23A 119.5 2_863 . ?
O4 C24 N4 120.4(3) . . ?
O4 C24 C22 123.0(3) . . ?
N4 C24 C22 116.6(3) . . ?
O6 C25 O5 125.6(4) . . ?
O6 C25 C26 118.1(4) . . ?
O5 C25 C26 116.1(4) . . ?
C36 C26 C27 119.7(3) . . ?
C36 C26 C25 114.4(3) . . ?
C27 C26 C25 125.7(3) . . ?
C33 C27 C26 117.5(3) . . ?
C33 C27 C28 117.2(3) . . ?
C26 C27 C28 125.4(3) . . ?
C30 C28 C27 119.4(3) . . ?
C30 C28 C29 116.0(3) . . ?
C27 C28 C29 124.3(3) . . ?
O7 C29 O8 127.5(4) . . ?
O7 C29 C28 117.6(3) . . ?
O8 C29 C28 114.7(4) . . ?
C28 C30 C31 122.6(4) . . ?
C28 C30 H30A 118.7 . . ?
C31 C30 H30A 118.7 . . ?
C32 C31 C30 119.8(4) . . ?
C32 C31 H31A 120.1 . . ?
C30 C31 H31A 120.1 . . ?
C31 C32 C33 120.1(3) . . ?
C31 C32 C37 118.6(3) . . ?
C33 C32 C37 121.3(3) . . ?
C34 C33 C32 118.7(3) . . ?
C34 C33 C27 120.5(3) . . ?
C32 C33 C27 120.8(3) . . ?
C35 C34 C33 119.9(3) . . ?
C35 C34 C38 119.2(3) . . ?
C33 C34 C38 120.9(3) . . ?
C34 C35 C36 120.2(3) . . ?
C34 C35 H35A 119.9 . . ?
C36 C35 H35A 119.9 . . ?
C26 C36 C35 122.2(3) . . ?
C26 C36 H36A 118.9 . . ?
C35 C36 H36A 118.9 . . ?
O9 C37 O10 118.3(4) . . ?
O9 C37 C32 124.5(4) . . ?
O10 C37 C32 117.2(3) . . ?
O11 C38 O10 118.6(4) . . ?
O11 C38 C34 123.5(4) . . ?
O10 C38 C34 117.9(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cd O12 2.231(2) . ?
Cd O8 2.234(3) 2_653 ?
Cd O5 2.246(3) . ?
Cd N3 2.279(3) . ?
Cd N1 2.292(3) . ?
O1 C6 1.200(4) . ?
O2 C12 1.206(4) . ?
O3 C18 1.203(4) . ?
O4 C24 1.209(4) . ?
O5 C25 1.263(5) . ?
O6 C25 1.236(5) . ?
O7 C29 1.236(5) . ?
O8 C29 1.261(5) . ?
O9 C37 1.199(5) . ?
O10 C38 1.390(5) . ?
O10 C37 1.397(5) . ?
O11 C38 1.202(4) . ?
O12 H13C 0.8499 . ?
O12 H13D 0.8500 . ?
N1 C1 1.332(5) . ?
N1 C5 1.335(4) . ?
N2 C12 1.393(5) . ?
N2 C6 1.404(4) . ?
N2 C4 1.447(4) . ?
N3 C17 1.337(4) . ?
N3 C13 1.342(5) . ?
N4 C24 1.406(5) . ?
N4 C18 1.414(4) . ?
N4 C16 1.445(4) . ?
C1 C2 1.375(5) . ?
C1 H1A 0.9300 . ?
C2 C3 1.374(5) . ?
C2 H2A 0.9300 . ?
C3 C4 1.369(5) . ?
C3 H3A 0.9300 . ?
C4 C5 1.373(5) . ?
C5 H5A 0.9300 . ?
C6 C7 1.483(5) . ?
C7 C8 1.370(5) . ?
C7 C9 1.410(5) . ?
C8 C11 1.397(5) 2_762 ?
C8 H8A 0.9300 . ?
C9 C9 1.404(6) 2_762 ?
C9 C10 1.414(4) . ?
C10 C11 1.371(5) . ?
C10 C12 1.478(5) . ?
C11 H11A 0.9300 . ?
C13 C14 1.374(5) . ?
C13 H13B 0.9300 . ?
C14 C15 1.380(5) . ?
C14 H14A 0.9300 . ?
C15 C16 1.380(5) . ?
C15 H15A 0.9300 . ?
C16 C17 1.371(5) . ?
C17 H17A 0.9300 . ?
C18 C19 1.481(5) . ?
C19 C20 1.368(5) . ?
C19 C21 1.405(5) . ?
C20 C23 1.397(5) 2_863 ?
C20 H20A 0.9300 . ?
C21 C22 1.413(4) . ?
C21 C21 1.413(7) 2_863 ?
C22 C23 1.367(5) . ?
C22 C24 1.479(5) . ?
C23 H23A 0.9300 . ?
C25 C26 1.513(5) . ?
C26 C36 1.373(5) . ?
C26 C27 1.432(5) . ?
C27 C33 1.424(5) . ?
C27 C28 1.442(5) . ?
C28 C30 1.370(5) . ?
C28 C29 1.506(5) . ?
C30 C31 1.388(5) . ?
C30 H30A 0.9300 . ?
C31 C32 1.369(5) . ?
C31 H31A 0.9300 . ?
C32 C33 1.412(5) . ?
C32 C37 1.470(6) . ?
C33 C34 1.412(5) . ?
C34 C35 1.370(5) . ?
C34 C38 1.466(5) . ?
C35 C36 1.380(5) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
