#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/28/4302809.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_4302809
loop_
_publ_author_name
'Xiaohui Cai'
'Maria Pia Donzello'
'Elisa Viola'
'Corrado Rizzoli'
'Claudio Ercolani'
'Karl M. Kadish'
_publ_contact_author
;
 Prof. Corrado Rizzoli
 Universitá degli Studi di Parma
 Dipartimento di Chimica Generale ed Inorganica,
 Chimica Analitica, Chimica Fisica
 Viale G. P. Usberti 17/A
 I-43100 Parma"
 Italy
;
_publ_section_title
;
Structural, UV-Visible, and Electrochemical Studies on
2,3-Dicyano-5,6-di-2-pyridylpyrazine, [(CN)2Py2Pyz], Related Species and
Its Complexes [(CN)2Py2PyzMCl2] (M = PtII, PdII)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7086
_journal_page_last               7098
_journal_paper_doi               10.1021/ic8023277
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C16 H8 Cl2 N6 Pt, 0.875(C2 H3 N)'
_chemical_formula_sum            'C17.75 H10.625 Cl2 N6.875 Pt'
_chemical_formula_weight         586.20
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             17/05/2007
_audit_creation_method           'ModiCIF v2.00'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.4777(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.5966(6)
_cell_length_b                   13.0168(7)
_cell_length_c                   28.4197(16)
_cell_measurement_reflns_used    3748
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      20.70
_cell_measurement_theta_min      3.16
_cell_volume                     4218.4(4)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELX97-L (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0565
_diffrn_reflns_av_sigmaI/netI    0.0684
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            37603
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.922
_exptl_absorpt_correction_T_max  0.707
_exptl_absorpt_correction_T_min  0.443
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2218
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.340
_refine_diff_density_min         -1.038
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7467
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0750
_refine_ls_R_factor_gt           0.0387
_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)+(0.0228P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0670
_refine_ls_wR_factor_ref         0.0709
_reflns_number_gt                4704
_reflns_number_total             7467
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic8023277_si_001.cif
_cod_data_source_block           ER26
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4302809
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.16080(3) -0.07015(2) 0.294642(12) 0.05185(11) Uani 1 1 d . . .
Pt2 Pt 0.29332(3) 0.29705(2) 0.553958(12) 0.05180(11) Uani 1 1 d . . .
Cl1 Cl 0.0960(2) 0.09565(17) 0.29369(9) 0.0791(7) Uani 1 1 d . . .
Cl2 Cl 0.1690(2) -0.06559(19) 0.21523(8) 0.0896(8) Uani 1 1 d . . .
Cl3 Cl 0.23164(19) 0.13648(16) 0.52846(8) 0.0713(7) Uani 1 1 d . . .
Cl4 Cl 0.48013(18) 0.26087(17) 0.54284(8) 0.0679(6) Uani 1 1 d . . .
N1 N 0.5001(5) -0.1426(5) 0.3378(2) 0.0515(17) Uani 1 1 d . . .
N2 N 0.4340(6) -0.0123(5) 0.4068(2) 0.0509(17) Uani 1 1 d . . .
N3 N 0.6836(6) 0.1344(6) 0.4354(3) 0.072(2) Uani 1 1 d . . .
N4 N 0.7653(6) -0.0400(6) 0.3288(3) 0.087(3) Uani 1 1 d . . .
N5 N 0.2193(5) -0.2163(5) 0.2997(2) 0.0501(17) Uani 1 1 d . . .
N6 N 0.1509(5) -0.0805(4) 0.3643(2) 0.0494(17) Uani 1 1 d . . .
N7 N 0.3869(7) 0.3930(5) 0.6968(3) 0.069(2) Uani 1 1 d . . .
N8 N 0.1762(7) 0.2836(5) 0.6835(3) 0.067(2) Uani 1 1 d . . .
N9 N 0.2111(11) 0.1527(7) 0.7899(4) 0.148(5) Uani 1 1 d . . .
N10 N 0.5015(12) 0.3260(9) 0.8119(4) 0.158(5) Uani 1 1 d . . .
N11 N 0.3424(5) 0.4401(5) 0.5752(2) 0.0511(17) Uani 1 1 d . . .
N12 N 0.1294(6) 0.3358(5) 0.5634(3) 0.0599(19) Uani 1 1 d . . .
C1 C 0.3946(6) -0.1500(6) 0.3509(3) 0.0441(19) Uani 1 1 d . . .
C2 C 0.3603(6) -0.0818(6) 0.3837(3) 0.0451(19) Uani 1 1 d . . .
C3 C 0.5400(7) -0.0056(6) 0.3944(3) 0.048(2) Uani 1 1 d . . .
C4 C 0.5697(6) -0.0683(6) 0.3594(3) 0.052(2) Uani 1 1 d . . .
C5 C 0.6199(7) 0.0713(7) 0.4180(3) 0.055(2) Uani 1 1 d . . .
C6 C 0.6817(8) -0.0551(6) 0.3427(3) 0.065(3) Uani 1 1 d . . .
C7 C 0.3212(7) -0.2378(6) 0.3289(3) 0.048(2) Uani 1 1 d . . .
C8 C 0.3588(7) -0.3366(7) 0.3385(3) 0.071(3) Uani 1 1 d . . .
H8 H 0.4277 -0.3501 0.3600 0.085 Uiso 1 1 calc R . .
C9 C 0.2910(8) -0.4166(7) 0.3151(4) 0.080(3) Uani 1 1 d . . .
H9 H 0.3162 -0.4843 0.3195 0.095 Uiso 1 1 calc R . .
C10 C 0.1861(8) -0.3937(7) 0.2853(3) 0.074(3) Uani 1 1 d . . .
H10 H 0.1379 -0.4458 0.2704 0.088 Uiso 1 1 calc R . .
C11 C 0.1546(7) -0.2932(7) 0.2783(3) 0.067(3) Uani 1 1 d . . .
H11 H 0.0850 -0.2777 0.2576 0.081 Uiso 1 1 calc R . .
C12 C 0.2437(7) -0.0868(5) 0.3987(3) 0.047(2) Uani 1 1 d . . .
C13 C 0.2366(8) -0.0910(6) 0.4469(3) 0.068(3) Uani 1 1 d . . .
H13 H 0.3046 -0.0936 0.4701 0.081 Uiso 1 1 calc R . .
C14 C 0.1293(10) -0.0913(7) 0.4601(4) 0.084(3) Uani 1 1 d . . .
H14 H 0.1224 -0.0949 0.4922 0.100 Uiso 1 1 calc R . .
C15 C 0.0330(9) -0.0861(7) 0.4251(4) 0.081(3) Uani 1 1 d . . .
H15 H -0.0410 -0.0859 0.4334 0.097 Uiso 1 1 calc R . .
C16 C 0.0424(7) -0.0813(6) 0.3781(3) 0.065(2) Uani 1 1 d . . .
H16 H -0.0253 -0.0785 0.3548 0.078 Uiso 1 1 calc R . .
C17 C 0.3121(8) 0.3987(6) 0.6560(3) 0.054(2) Uani 1 1 d . . .
C18 C 0.2043(9) 0.3443(7) 0.6498(3) 0.061(2) Uani 1 1 d . . .
C19 C 0.2550(12) 0.2774(7) 0.7243(4) 0.078(3) Uani 1 1 d . . .
C20 C 0.3569(11) 0.3317(8) 0.7307(4) 0.077(3) Uani 1 1 d . . .
C21 C 0.2280(11) 0.2076(7) 0.7606(4) 0.098(4) Uani 1 1 d . . .
C22 C 0.4384(12) 0.3286(8) 0.7764(5) 0.108(4) Uani 1 1 d . . .
C23 C 0.3474(7) 0.4713(6) 0.6198(3) 0.055(2) Uani 1 1 d . . .
C24 C 0.3868(7) 0.5681(7) 0.6358(3) 0.070(3) Uani 1 1 d . . .
H24 H 0.3910 0.5869 0.6676 0.084 Uiso 1 1 calc R . .
C25 C 0.4194(8) 0.6356(7) 0.6032(4) 0.081(3) Uani 1 1 d . . .
H25 H 0.4459 0.7012 0.6126 0.097 Uiso 1 1 calc R . .
C26 C 0.4121(8) 0.6042(7) 0.5564(4) 0.076(3) Uani 1 1 d . . .
H26 H 0.4326 0.6489 0.5338 0.091 Uiso 1 1 calc R . .
C27 C 0.3743(7) 0.5063(7) 0.5435(3) 0.066(2) Uani 1 1 d . . .
H27 H 0.3706 0.4853 0.5119 0.079 Uiso 1 1 calc R . .
C28 C 0.1100(8) 0.3543(6) 0.6087(4) 0.061(2) Uani 1 1 d . . .
C29 C -0.0022(10) 0.3827(7) 0.6139(4) 0.093(3) Uani 1 1 d . . .
H29 H -0.0176 0.3958 0.6444 0.112 Uiso 1 1 calc R . .
C30 C -0.0910(10) 0.3917(9) 0.5750(5) 0.108(4) Uani 1 1 d . . .
H30 H -0.1653 0.4120 0.5792 0.129 Uiso 1 1 calc R . .
C31 C -0.0707(9) 0.3709(8) 0.5296(5) 0.103(4) Uani 1 1 d . . .
H31 H -0.1305 0.3752 0.5030 0.124 Uiso 1 1 calc R . .
C32 C 0.0431(8) 0.3432(7) 0.5250(4) 0.081(3) Uani 1 1 d . . .
H32 H 0.0595 0.3295 0.4948 0.098 Uiso 1 1 calc R . .
N13 N 0.2700(13) 0.4121(10) 0.4268(5) 0.169(6) Uani 1 1 d . . .
C33 C 0.2734(12) 0.3294(13) 0.4196(5) 0.122(5) Uani 1 1 d . . .
C34 C 0.2744(12) 0.2202(9) 0.4095(4) 0.150(5) Uani 1 1 d . . .
H34A H 0.2940 0.1827 0.4389 0.225 Uiso 1 1 calc R . .
H34B H 0.3316 0.2062 0.3898 0.225 Uiso 1 1 calc R . .
H34C H 0.1983 0.1994 0.3930 0.225 Uiso 1 1 calc R . .
N14 N -0.0966(18) 0.3774(13) 0.4158(7) 0.166(8) Uani 0.75 1 d PD . .
C35 C -0.1011(18) 0.3034(15) 0.3950(7) 0.121(7) Uani 0.75 1 d PD . .
C36 C -0.105(2) 0.2193(13) 0.3631(7) 0.206(12) Uani 0.75 1 d PD . .
H36A H -0.1822 0.1896 0.3578 0.309 Uiso 0.75 1 calc PR . .
H36B H -0.0487 0.1686 0.3767 0.309 Uiso 0.75 1 calc PR . .
H36C H -0.0873 0.2426 0.3332 0.309 Uiso 0.75 1 calc PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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'
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
N6 Pt1 N5 86.9(2) . . ?
N6 Pt1 Cl2 177.49(18) . . ?
N5 Pt1 Cl2 91.19(19) . . ?
N6 Pt1 Cl1 89.85(18) . . ?
N5 Pt1 Cl1 176.67(19) . . ?
Cl2 Pt1 Cl1 92.10(9) . . ?
N11 Pt2 N12 87.2(3) . . ?
N11 Pt2 Cl3 178.09(19) . . ?
N12 Pt2 Cl3 91.3(2) . . ?
N11 Pt2 Cl4 90.48(18) . . ?
N12 Pt2 Cl4 177.47(19) . . ?
Cl3 Pt2 Cl4 91.00(8) . . ?
C4 N1 C1 115.4(6) . . ?
C2 N2 C3 116.8(7) . . ?
C11 N5 C7 119.0(7) . . ?
C11 N5 Pt1 121.6(6) . . ?
C7 N5 Pt1 119.1(5) . . ?
C12 N6 C16 116.8(7) . . ?
C12 N6 Pt1 123.4(5) . . ?
C16 N6 Pt1 119.9(6) . . ?
C17 N7 C20 116.6(9) . . ?
C18 N8 C19 116.2(9) . . ?
C23 N11 C27 118.4(7) . . ?
C23 N11 Pt2 122.3(6) . . ?
C27 N11 Pt2 119.3(6) . . ?
C32 N12 C28 121.7(8) . . ?
C32 N12 Pt2 119.1(7) . . ?
C28 N12 Pt2 119.1(6) . . ?
N1 C1 C2 121.5(7) . . ?
N1 C1 C7 114.6(7) . . ?
C2 C1 C7 123.9(7) . . ?
N2 C2 C1 121.7(7) . . ?
N2 C2 C12 114.9(7) . . ?
C1 C2 C12 123.1(7) . . ?
N2 C3 C4 120.8(7) . . ?
N2 C3 C5 117.7(7) . . ?
C4 C3 C5 121.5(8) . . ?
N1 C4 C3 123.5(7) . . ?
N1 C4 C6 115.6(7) . . ?
C3 C4 C6 120.9(7) . . ?
N3 C5 C3 177.8(9) . . ?
N4 C6 C4 176.2(10) . . ?
N5 C7 C8 122.1(7) . . ?
N5 C7 C1 118.0(7) . . ?
C8 C7 C1 119.9(7) . . ?
C7 C8 C9 118.2(8) . . ?
C7 C8 H8 120.9 . . ?
C9 C8 H8 120.9 . . ?
C10 C9 C8 119.2(9) . . ?
C10 C9 H9 120.4 . . ?
C8 C9 H9 120.4 . . ?
C11 C10 C9 118.6(8) . . ?
C11 C10 H10 120.7 . . ?
C9 C10 H10 120.7 . . ?
N5 C11 C10 122.8(8) . . ?
N5 C11 H11 118.6 . . ?
C10 C11 H11 118.6 . . ?
N6 C12 C13 123.2(7) . . ?
N6 C12 C2 116.4(7) . . ?
C13 C12 C2 120.2(7) . . ?
C14 C13 C12 119.5(9) . . ?
C14 C13 H13 120.3 . . ?
C12 C13 H13 120.3 . . ?
C15 C14 C13 118.0(9) . . ?
C15 C14 H14 121.0 . . ?
C13 C14 H14 121.0 . . ?
C14 C15 C16 121.3(9) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 H15 119.3 . . ?
C15 C16 N6 121.2(8) . . ?
C15 C16 H16 119.4 . . ?
N6 C16 H16 119.4 . . ?
N7 C17 C18 120.4(8) . . ?
N7 C17 C23 114.7(8) . . ?
C18 C17 C23 124.7(8) . . ?
N8 C18 C17 122.2(9) . . ?
N8 C18 C28 112.7(9) . . ?
C17 C18 C28 125.0(8) . . ?
N8 C19 C20 121.5(9) . . ?
N8 C19 C21 116.8(12) . . ?
C20 C19 C21 121.6(12) . . ?
N7 C20 C19 123.0(10) . . ?
N7 C20 C22 116.3(11) . . ?
C19 C20 C22 120.7(11) . . ?
N9 C21 C19 177.5(15) . . ?
N10 C22 C20 179.9(17) . . ?
N11 C23 C24 123.2(8) . . ?
N11 C23 C17 119.4(8) . . ?
C24 C23 C17 117.4(8) . . ?
C25 C24 C23 118.3(9) . . ?
C25 C24 H24 120.9 . . ?
C23 C24 H24 120.9 . . ?
C26 C25 C24 118.8(9) . . ?
C26 C25 H25 120.6 . . ?
C24 C25 H25 120.6 . . ?
C27 C26 C25 119.6(9) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
N11 C27 C26 121.8(9) . . ?
N11 C27 H27 119.1 . . ?
C26 C27 H27 119.1 . . ?
N12 C28 C29 117.8(9) . . ?
N12 C28 C18 120.8(8) . . ?
C29 C28 C18 121.4(9) . . ?
C30 C29 C28 121.1(11) . . ?
C30 C29 H29 119.4 . . ?
C28 C29 H29 119.4 . . ?
C29 C30 C31 120.5(11) . . ?
C29 C30 H30 119.8 . . ?
C31 C30 H30 119.8 . . ?
C30 C31 C32 117.5(11) . . ?
C30 C31 H31 121.2 . . ?
C32 C31 H31 121.2 . . ?
N12 C32 C31 121.4(10) . . ?
N12 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
N13 C33 C34 178.4(19) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N14 C35 C36 172(3) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
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
Pt1 N6 2.007(6) . ?
Pt1 N5 2.016(6) . ?
Pt1 Cl2 2.277(2) . ?
Pt1 Cl1 2.284(2) . ?
Pt2 N11 2.007(6) . ?
Pt2 N12 2.031(6) . ?
Pt2 Cl3 2.284(2) . ?
Pt2 Cl4 2.294(2) . ?
N1 C4 1.334(9) . ?
N1 C1 1.346(8) . ?
N2 C2 1.333(8) . ?
N2 C3 1.342(9) . ?
N3 C5 1.154(9) . ?
N4 C6 1.130(9) . ?
N5 C11 1.329(9) . ?
N5 C7 1.344(9) . ?
N6 C12 1.320(8) . ?
N6 C16 1.384(9) . ?
N7 C17 1.317(9) . ?
N7 C20 1.345(11) . ?
N8 C18 1.327(10) . ?
N8 C19 1.342(12) . ?
N9 C21 1.140(11) . ?
N10 C22 1.132(13) . ?
N11 C23 1.323(9) . ?
N11 C27 1.347(9) . ?
N12 C32 1.343(10) . ?
N12 C28 1.367(9) . ?
C1 C2 1.395(9) . ?
C1 C7 1.494(9) . ?
C2 C12 1.491(10) . ?
C3 C4 1.378(10) . ?
C3 C5 1.444(10) . ?
C4 C6 1.471(11) . ?
C7 C8 1.369(10) . ?
C8 C9 1.398(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.382(11) . ?
C9 H9 0.9300 . ?
C10 C11 1.363(11) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.389(10) . ?
C13 C14 1.364(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.356(12) . ?
C14 H14 0.9300 . ?
C15 C16 1.364(11) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.419(11) . ?
C17 C23 1.508(11) . ?
C18 C28 1.453(11) . ?
C19 C20 1.360(13) . ?
C19 C21 1.452(13) . ?
C20 C22 1.463(15) . ?
C23 C24 1.387(10) . ?
C24 C25 1.379(11) . ?
C24 H24 0.9300 . ?
C25 C26 1.378(11) . ?
C25 H25 0.9300 . ?
C26 C27 1.376(11) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.386(11) . ?
C29 C30 1.374(14) . ?
C29 H29 0.9300 . ?
C30 C31 1.379(14) . ?
C30 H30 0.9300 . ?
C31 C32 1.397(12) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
N13 C33 1.097(15) . ?
C33 C34 1.452(16) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
N14 C35 1.127(9) . ?
C35 C36 1.417(9) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139126901
