#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:28:17 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268668 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/30/7243095.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_7243095
loop_
_publ_author_name
'Tseng, Tien-Wen'
'Luo, Tzuoo-Tsair'
'Tseng, Kuo-Yang'
'Hong, Yu-Xian'
'Huang, Guang-Cheng'
_publ_section_title
;
 Bent-bis(triazolyl)-based coordination polymers tuned by dicarboxylate
 ligands: syntheses, structures and properties
;
_journal_issue                   31
_journal_name_full               CrystEngComm
_journal_page_first              5293
_journal_page_last               5305
_journal_paper_doi               10.1039/D1CE00780G
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C31.25 H27.25 N6.25 O8.25 Zn'
_chemical_formula_weight         687.71
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-12 deposited with the CCDC.	2021-06-22 downloaded from the CCDC.
;
_cell_angle_alpha                95.508(4)
_cell_angle_beta                 102.091(4)
_cell_angle_gamma                104.351(3)
_cell_formula_units_Z            2
_cell_length_a                   10.2125(13)
_cell_length_b                   11.4153(15)
_cell_length_c                   15.210(2)
_cell_measurement_reflns_used    5173
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.07
_cell_measurement_theta_min      2.24
_cell_volume                     1659.1(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_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  0.0935
_diffrn_reflns_av_unetI/netI     0.0703
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            42818
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.201
_diffrn_reflns_theta_min         2.121
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.799
_exptl_absorpt_correction_T_max  0.9705
_exptl_absorpt_correction_T_min  0.8932
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_description       prism
_exptl_crystal_F_000             709
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.260
_refine_diff_density_max         1.025
_refine_diff_density_min         -0.951
_refine_diff_density_rms         0.126
_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     522
_refine_ls_number_reflns         7364
_refine_ls_number_restraints     167
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0920
_refine_ls_R_factor_gt           0.0643
_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)+(0.1069P)²+3.7207P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1746
_refine_ls_wR_factor_ref         0.1989
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5504
_reflns_number_total             7364
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce00780g2.cif
_cod_data_source_block           shelx_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7243093--7243099.cif.'
_cod_database_code               7243095
_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   0.773
_shelx_estimated_absorpt_t_max   0.819
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
Zn1 Zn 0.63132(4) 0.59836(4) 0.65002(3) 0.02155(16) Uani 1 1 d . . . . .
C1 C 0.9692(4) 0.4789(4) 0.6131(3) 0.0223(8) Uani 1 1 d . . . . .
C2 C 1.1092(4) 0.5411(3) 0.6280(3) 0.0218(8) Uani 1 1 d . . . . .
H2 H 1.138564 0.625431 0.646379 0.026 Uiso 1 1 calc R U . . .
C3 C 1.2054(4) 0.4777(3) 0.6156(3) 0.0215(8) Uani 1 1 d . . . . .
C4 C 1.1604(4) 0.3520(4) 0.5880(4) 0.0351(11) Uani 1 1 d . . . . .
H4 H 1.225204 0.309326 0.581200 0.042 Uiso 1 1 calc R U . . .
C5 C 1.0207(4) 0.2889(4) 0.5704(4) 0.0439(14) Uani 1 1 d . . . . .
C6 C 0.9258(4) 0.3536(4) 0.5837(3) 0.0342(11) Uani 1 1 d . . . . .
H6 H 0.831857 0.312241 0.572615 0.041 Uiso 1 1 calc R U . . .
C7 C 0.8668(4) 0.5467(4) 0.6311(3) 0.0211(8) Uani 1 1 d . . . . .
C8 C 1.3561(4) 0.5475(3) 0.6341(3) 0.0224(8) Uani 1 1 d . . . . .
C9 C 0.9716(6) 0.1519(5) 0.5400(7) 0.092(3) Uani 1 1 d . . . . .
H9A H 0.892591 0.117800 0.563443 0.138 Uiso 1 1 calc R U . . .
H9B H 1.045365 0.116277 0.562490 0.138 Uiso 1 1 calc R U . . .
H9C H 0.945584 0.134785 0.474679 0.138 Uiso 1 1 calc R U . . .
C10 C 0.8209(5) 0.7157(4) 0.8350(3) 0.0318(10) Uani 1 1 d . . . . .
H10 H 0.901688 0.715486 0.815997 0.038 Uiso 1 1 calc R U . . .
C11 C 0.6114(5) 0.6945(6) 0.8396(4) 0.0525(15) Uani 1 1 d . . . . .
H11 H 0.514796 0.674281 0.821012 0.063 Uiso 1 1 calc R U . . .
C12 C 0.9294(5) 0.8216(4) 0.9946(3) 0.0369(11) Uani 1 1 d . . . . .
C13 C 1.0621(6) 0.8142(5) 0.9959(4) 0.0519(15) Uani 1 1 d . . . . .
H13 H 1.078425 0.765800 0.948820 0.062 Uiso 1 1 calc R U . . .
C14 C 1.1706(6) 0.8792(5) 1.0676(4) 0.0519(14) Uani 1 1 d . . . . .
H14 H 1.260923 0.875539 1.068834 0.062 Uiso 1 1 calc R U . . .
C15 C 1.1453(6) 0.9491(4) 1.1372(3) 0.0403(12) Uani 1 1 d . . . . .
C16 C 1.0123(6) 0.9530(6) 1.1369(4) 0.0520(14) Uani 1 1 d . . . . .
H16 H 0.995550 0.998941 1.185145 0.062 Uiso 1 1 calc R U . . .
C17 C 0.9031(6) 0.8888(6) 1.0651(4) 0.0509(14) Uani 1 1 d . . . . .
H17 H 0.812577 0.891164 1.064644 0.061 Uiso 1 1 calc R U . . .
C18 C 1.3350(5) 0.9696(4) 1.2650(3) 0.0313(10) Uani 1 1 d . . . . .
C19 C 1.2949(5) 0.8470(4) 1.2728(3) 0.0342(10) Uani 1 1 d . . . . .
H19 H 1.213354 0.795355 1.234691 0.041 Uiso 1 1 calc R U . . .
C20 C 1.3773(4) 0.8016(4) 1.3379(3) 0.0289(9) Uani 1 1 d . . . . .
H20 H 1.352063 0.718982 1.343203 0.035 Uiso 1 1 calc R U . . .
C21 C 1.4969(4) 0.8795(4) 1.3947(3) 0.0232(8) Uani 1 1 d . . . . .
C22 C 1.5393(4) 1.0020(4) 1.3854(3) 0.0267(9) Uani 1 1 d . . . . .
H22 H 1.621265 1.053276 1.423219 0.032 Uiso 1 1 calc R U . . .
C23 C 1.4589(5) 1.0472(4) 1.3194(3) 0.0288(9) Uani 1 1 d . . . . .
H23 H 1.487309 1.128571 1.311432 0.035 Uiso 1 1 calc R U . . .
C24 C 1.5360(4) 0.7331(3) 1.5019(3) 0.0217(8) Uani 1 1 d . . . . .
H24 H 1.449220 0.675853 1.483262 0.026 Uiso 1 1 calc R U . . .
C25 C 1.7424(4) 0.8301(4) 1.5706(3) 0.0288(9) Uani 1 1 d . . . . .
H25 H 1.829149 0.850066 1.611493 0.035 Uiso 1 1 calc R U . . .
C26 C 1.3119(8) 0.9634(6) 0.8274(5) 0.054(2) Uani 0.5 1 d DG U P A -1
C27 C 1.3189(8) 1.0703(8) 0.7896(4) 0.055(3) Uani 0.5 1 d G U P A -1
H27 H 1.262729 1.068188 0.732523 0.066 Uiso 0.5 1 calc R U P A -1
C28 C 1.4100(8) 1.1804(6) 0.8373(6) 0.058(3) Uani 0.5 1 d G U P A -1
C29 C 1.4941(7) 1.1835(7) 0.9226(6) 0.064(3) Uani 0.5 1 d G U P A -1
H29 H 1.554998 1.257139 0.954469 0.077 Uiso 0.5 1 calc R U P A -1
C30 C 1.4870(9) 1.0766(9) 0.9603(5) 0.067(3) Uani 0.5 1 d G U P A -1
C31 C 1.3959(10) 0.9665(8) 0.9127(6) 0.063(3) Uani 0.5 1 d G U P A -1
H31 H 1.391165 0.895008 0.937966 0.075 Uiso 0.5 1 calc R U P A -1
C32 C 1.2017(18) 0.8457(15) 0.7789(15) 0.056(4) Uani 0.5 1 d D U P A -1
C33 C 1.5690(17) 1.0764(16) 1.0507(11) 0.072(4) Uani 0.5 1 d . U P A -1
C34 C 1.4224(18) 1.3051(17) 0.8083(14) 0.098(5) Uani 0.5 1 d . U P A -1
H34A H 1.356702 1.341010 0.829336 0.147 Uiso 0.5 1 calc R U P A -1
H34B H 1.403249 1.296554 0.743085 0.147 Uiso 0.5 1 calc R U P A -1
H34C H 1.515076 1.356913 0.834029 0.147 Uiso 0.5 1 calc R U P A -1
O6 O 1.1233(10) 0.8564(9) 0.7082(8) 0.064(2) Uani 0.5 1 d . U P A -1
O7 O 1.214(2) 0.7562(10) 0.8196(7) 0.144(7) Uani 0.5 1 d . U P A -1
O8 O 1.6601(12) 1.1804(12) 1.0916(9) 0.103(4) Uani 0.5 1 d . U P A -1
O9 O 1.5561(17) 0.9728(17) 1.0924(10) 0.117(5) Uani 0.5 1 d . . P A -1
O10 O 1.8611(15) 1.1693(17) 1.2308(14) 0.090(6) Uani 0.5 1 d . . P B -1
O11 O 1.834(2) 0.946(2) 1.2871(15) 0.188(8) Uani 0.5 1 d . . P C -1
C38 C 1.713(3) 0.874(3) 1.237(2) 0.133(9) Uani 0.5 1 d . U P C -1
H38A H 1.683870 0.911350 1.184989 0.159 Uiso 0.5 1 calc R U P C -1
H38B H 1.644352 0.870224 1.273267 0.159 Uiso 0.5 1 calc R U P C -1
C39 C 1.710(3) 0.757(3) 1.2069(17) 0.173(11) Uani 0.5 1 d . U P C -1
H39A H 1.617591 0.713561 1.172051 0.260 Uiso 0.5 1 calc R U P C -1
H39B H 1.774570 0.757820 1.169310 0.260 Uiso 0.5 1 calc R U P C -1
H39C H 1.734913 0.716548 1.257901 0.260 Uiso 0.5 1 calc R U P C -1
O1 O 0.7392(3) 0.4846(2) 0.6174(2) 0.0244(6) Uani 1 1 d . . . . .
O2 O 0.9068(3) 0.6588(2) 0.6604(2) 0.0280(7) Uani 1 1 d . . . . .
O3 O 1.3924(3) 0.6583(3) 0.6598(2) 0.0354(8) Uani 1 1 d . . . . .
O4 O 1.4425(3) 0.4852(2) 0.6217(2) 0.0267(6) Uani 1 1 d . . . . .
O5 O 1.2546(4) 1.0242(3) 1.2061(2) 0.0465(9) Uani 1 1 d . . . . .
N1 N 0.6925(4) 0.6717(3) 0.7830(3) 0.0313(8) Uani 1 1 d . . . . .
N2 N 0.8172(4) 0.7601(4) 0.9182(3) 0.0369(9) Uani 1 1 d . . . . .
N3 N 0.6810(5) 0.7473(5) 0.9225(3) 0.0577(14) Uani 1 1 d . . . . .
N4 N 1.6397(3) 0.7280(3) 1.5692(2) 0.0231(7) Uani 1 1 d . . . . .
N5 N 1.5763(3) 0.8339(3) 1.4653(2) 0.0228(7) Uani 1 1 d . . . . .
N6 N 1.7092(3) 0.8985(3) 1.5092(3) 0.0290(8) Uani 1 1 d . . . . .
O12 O 0.854(3) 0.4556(17) 0.888(2) 0.130(8) Uani 0.25 1 d D U P D -1
N7 N 1.092(2) 0.4897(18) 0.9434(16) 0.103(6) Uani 0.25 1 d D U P D -1
C35 C 1.106(4) 0.450(4) 0.854(2) 0.145(12) Uani 0.25 1 d D U P D -1
H35A H 1.016956 0.428896 0.812132 0.217 Uiso 0.25 1 calc R U P D -1
H35B H 1.169154 0.515469 0.836014 0.217 Uiso 0.25 1 calc R U P D -1
H35C H 1.142529 0.380344 0.855690 0.217 Uiso 0.25 1 calc R U P D -1
C36 C 0.954(3) 0.487(2) 0.9553(19) 0.095(7) Uani 0.25 1 d D U P D -1
H36 H 0.941529 0.507576 1.012853 0.114 Uiso 0.25 1 calc R U P D -1
C37 C 1.207(3) 0.527(3) 1.019(2) 0.125(10) Uani 0.25 1 d D U P D -1
H37A H 1.176796 0.549758 1.072468 0.187 Uiso 0.25 1 calc R U P D -1
H37B H 1.248274 0.460581 1.028544 0.187 Uiso 0.25 1 calc R U P D -1
H37C H 1.274899 0.595707 1.008868 0.187 Uiso 0.25 1 calc R U P D -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
O O 0.0106 0.0060 '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'
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
O4 Zn1 O1 100.56(11) 1_455 . ?
O4 Zn1 N4 110.58(13) 1_455 1_454 ?
O1 Zn1 N4 110.26(13) . 1_454 ?
O4 Zn1 N1 110.57(14) 1_455 . ?
O1 Zn1 N1 112.55(14) . . ?
N4 Zn1 N1 111.80(15) 1_454 . ?
C6 C1 C2 119.5(3) . . ?
C6 C1 C7 120.5(3) . . ?
C2 C1 C7 120.0(3) . . ?
C1 C2 C3 120.2(3) . . ?
C4 C3 C2 119.4(3) . . ?
C4 C3 C8 121.9(3) . . ?
C2 C3 C8 118.7(3) . . ?
C5 C4 C3 121.2(4) . . ?
C4 C5 C6 118.6(4) . . ?
C4 C5 C9 121.2(4) . . ?
C6 C5 C9 120.2(4) . . ?
C1 C6 C5 121.0(4) . . ?
O2 C7 O1 122.2(3) . . ?
O2 C7 C1 120.3(3) . . ?
O1 C7 C1 117.4(3) . . ?
O3 C8 O4 123.0(3) . . ?
O3 C8 C3 120.1(3) . . ?
O4 C8 C3 116.9(3) . . ?
N1 C10 N2 110.1(4) . . ?
N3 C11 N1 114.5(5) . . ?
C17 C12 C13 120.9(5) . . ?
C17 C12 N2 119.3(5) . . ?
C13 C12 N2 119.8(4) . . ?
C12 C13 C14 119.3(5) . . ?
C15 C14 C13 120.0(5) . . ?
C16 C15 C14 120.5(5) . . ?
C16 C15 O5 118.5(5) . . ?
C14 C15 O5 120.9(5) . . ?
C15 C16 C17 120.0(5) . . ?
C12 C17 C16 119.3(6) . . ?
C19 C18 O5 123.2(4) . . ?
C19 C18 C23 121.1(4) . . ?
O5 C18 C23 115.7(4) . . ?
C18 C19 C20 119.3(4) . . ?
C21 C20 C19 119.7(4) . . ?
C20 C21 C22 121.0(4) . . ?
C20 C21 N5 119.3(4) . . ?
C22 C21 N5 119.7(4) . . ?
C23 C22 C21 119.5(4) . . ?
C22 C23 C18 119.3(4) . . ?
N4 C24 N5 109.0(3) . . ?
N6 C25 N4 114.4(4) . . ?
C27 C26 C31 120.0 . . ?
C27 C26 C32 119.5(10) . . ?
C31 C26 C32 120.2(10) . . ?
C28 C27 C26 120.0 . . ?
C29 C28 C27 120.0 . . ?
C29 C28 C34 113.8(10) . . ?
C27 C28 C34 126.1(10) . . ?
C30 C29 C28 120.0 . . ?
C29 C30 C31 120.0 . . ?
C29 C30 C33 121.9(9) . . ?
C31 C30 C33 118.1(9) . . ?
C30 C31 C26 120.0 . . ?
O6 C32 O7 133.6(15) . . ?
O6 C32 C26 114.8(15) . . ?
O7 C32 C26 111.6(16) . . ?
O8 C33 O9 120.6(16) . . ?
O8 C33 C30 116.5(15) . . ?
O9 C33 C30 122.9(14) . . ?
O11 C38 C39 117(3) . . ?
C7 O1 Zn1 107.8(2) . . ?
C8 O4 Zn1 108.5(2) . 1_655 ?
C18 O5 C15 118.5(4) . . ?
C10 N1 C11 103.3(4) . . ?
C10 N1 Zn1 128.6(3) . . ?
C11 N1 Zn1 128.0(3) . . ?
C10 N2 N3 109.7(4) . . ?
C10 N2 C12 129.6(4) . . ?
N3 N2 C12 120.5(4) . . ?
C11 N3 N2 102.4(4) . . ?
C24 N4 C25 103.8(3) . . ?
C24 N4 Zn1 125.3(3) . 1_656 ?
C25 N4 Zn1 130.8(3) . 1_656 ?
C24 N5 N6 110.5(3) . . ?
C24 N5 C21 128.5(3) . . ?
N6 N5 C21 120.9(3) . . ?
C25 N6 N5 102.2(3) . . ?
C37 N7 C35 121.9(14) . . ?
C37 N7 C36 119.6(14) . . ?
C35 N7 C36 118.4(13) . . ?
O12 C36 N7 119(2) . . ?
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
Zn1 O4 1.970(3) 1_455 ?
Zn1 O1 1.991(3) . ?
Zn1 N4 2.009(3) 1_454 ?
Zn1 N1 2.017(4) . ?
C1 C6 1.387(6) . ?
C1 C2 1.389(5) . ?
C1 C7 1.499(5) . ?
C2 C3 1.389(5) . ?
C3 C4 1.386(5) . ?
C3 C8 1.500(5) . ?
C4 C5 1.386(6) . ?
C5 C6 1.391(6) . ?
C5 C9 1.511(6) . ?
C7 O2 1.248(5) . ?
C7 O1 1.282(5) . ?
C8 O3 1.225(5) . ?
C8 O4 1.294(5) . ?
C10 N1 1.327(5) . ?
C10 N2 1.329(6) . ?
C11 N3 1.314(7) . ?
C11 N1 1.362(6) . ?
C12 C17 1.369(7) . ?
C12 C13 1.375(8) . ?
C12 N2 1.430(6) . ?
C13 C14 1.378(7) . ?
C14 C15 1.370(7) . ?
C15 C16 1.369(8) . ?
C15 O5 1.393(5) . ?
C16 C17 1.380(7) . ?
C18 C19 1.381(6) . ?
C18 O5 1.386(5) . ?
C18 C23 1.391(6) . ?
C19 C20 1.387(6) . ?
C20 C21 1.379(6) . ?
C21 C22 1.388(6) . ?
C21 N5 1.426(5) . ?
C22 C23 1.383(6) . ?
C24 N4 1.327(5) . ?
C24 N5 1.337(5) . ?
C25 N6 1.317(6) . ?
C25 N4 1.356(5) . ?
C26 C27 1.3900 . ?
C26 C31 1.3900 . ?
C26 C32 1.526(15) . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
C28 C34 1.514(19) . ?
C29 C30 1.3900 . ?
C30 C31 1.3900 . ?
C30 C33 1.452(18) . ?
C32 O6 1.24(3) . ?
C32 O7 1.26(3) . ?
C33 O8 1.316(19) . ?
C33 O9 1.39(2) . ?
O11 C38 1.33(3) . ?
C38 C39 1.36(3) . ?
N2 N3 1.379(6) . ?
N5 N6 1.365(4) . ?
O12 C36 1.243(18) . ?
N7 C37 1.408(19) . ?
N7 C35 1.432(19) . ?
N7 C36 1.448(19) . ?
