#------------------------------------------------------------------------------
#$Date: 2025-08-18 23:06:14 +0200 (Mon 18 de Aug de 2025) $
#$Revision: 301780 $
#$URL: svn://www.crystallography.net/cod/cif/1/55/27/1552776.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_1552776
loop_
_publ_author_name
'OZAWA, Yoshiki'
'MASUNAGA, Azusa'
'KUBO, Masahiro'
'YASUDA, Nobuhiro'
'TORIUMI, Koshiro'
_publ_section_title
;
 Crystal Structure of Hexakis(quinoline-2-thiolatosilver(I))
;
_journal_issue                   0
_journal_name_full               'X-ray Structure Analysis Online'
_journal_page_first              51
_journal_paper_doi               10.2116/xraystruct.35.51
_journal_volume                  35
_journal_year                    2019
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C54 H36 Ag6 N6 S6'
_chemical_formula_sum            'C54 H36 Ag6 N6 S6'
_chemical_formula_weight         1608.53
_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_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2015-01-13T19:40:45-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                113.528(15)
_cell_angle_beta                 104.24(3)
_cell_angle_gamma                100.46(3)
_cell_formula_units_Z            1
_cell_length_a                   8.064(6)
_cell_length_b                   13.480(3)
_cell_length_c                   13.573(5)
_cell_measurement_reflns_used    659
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.96
_cell_measurement_theta_min      3.49
_cell_measurement_wavelength     0.83073
_cell_volume                     1244.5(11)
_computing_cell_refinement       'R-AXIS (Rigaku, 2008)'
_computing_data_collection       'R-AXIS (Rigaku, 2008)'
_computing_data_reduction
'CrystalClear (Rigaku/MSC Inc., 2006), SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 28.44
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device       'fixed-Χ diffractometer'
_diffrn_measurement_device_type
'SPring-8 BL40XU RIGAKU Saturn-724 CCD detector'
_diffrn_measurement_method       'ω oscillation scans'
_diffrn_orient_matrix_UB_11      -0.046892
_diffrn_orient_matrix_UB_12      0.018765
_diffrn_orient_matrix_UB_13      -0.063575
_diffrn_orient_matrix_UB_21      -0.111252
_diffrn_orient_matrix_UB_22      0.004316
_diffrn_orient_matrix_UB_23      0.01935
_diffrn_orient_matrix_UB_31      0.059927
_diffrn_orient_matrix_UB_32      0.08304
_diffrn_orient_matrix_UB_33      0.054419
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.83073
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14399
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        29.868
_diffrn_reflns_theta_max         29.868
_diffrn_reflns_theta_min         3.489
_diffrn_source                   synchrotron
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.935
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.8024
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.146
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.014
_exptl_crystal_size_mid          0.012
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.015
_refine_diff_density_min         -0.703
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4437
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0324
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0303P)²+4.4583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.075
_refine_ls_wR_factor_ref         0.0889
_reflns_Friedel_coverage         0
_reflns_number_gt                3685
_reflns_number_total             4437
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            35_51_1.txt
_cod_data_source_block           ag6qnt6_150k
_cod_database_code               1552776
_shelx_estimated_absorpt_t_min   0.609
_shelx_estimated_absorpt_t_max   0.694
loop_
_symmetry_equiv_pos_as_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
Ag1 Ag 0.23480(6) 0.37769(3) 0.37742(3) 0.02785(12) Uani 1 1 d . .
Ag2 Ag 0.60134(6) 0.35650(3) 0.43178(3) 0.02804(12) Uani 1 1 d . .
Ag3 Ag 0.50395(6) 0.54821(3) 0.36551(3) 0.02783(12) Uani 1 1 d . .
S1 S 0.55946(18) 0.36802(11) 0.25039(11) 0.0260(3) Uani 1 1 d . .
S2 S 0.23367(18) 0.27857(11) 0.49868(11) 0.0266(3) Uani 1 1 d . .
S3 S 0.10085(18) 0.53508(11) 0.41128(11) 0.0258(3) Uani 1 1 d . .
N11 N 0.2060(6) 0.2651(3) 0.1885(3) 0.0226(9) Uani 1 1 d . .
C12 C 0.3445(7) 0.2750(4) 0.1547(4) 0.0229(11) Uani 1 1 d . .
C13 C 0.3244(8) 0.2098(5) 0.0357(4) 0.0310(13) Uani 1 1 d . .
H13 H 0.4258 0.2186 0.0125 0.037 Uiso 1 1 calc R U
C14 C 0.1646(8) 0.1373(4) -0.0414(4) 0.0319(13) Uani 1 1 d . .
H14 H 0.1531 0.0932 -0.119 0.038 Uiso 1 1 calc R U
C15 C 0.0130(8) 0.1258(5) -0.0085(5) 0.0312(13) Uani 1 1 d . .
C16 C -0.1630(9) 0.0566(5) -0.0864(5) 0.0413(16) Uani 1 1 d . .
H16 H -0.1817 0.011 -0.165 0.05 Uiso 1 1 calc R U
C17 C -0.3041(9) 0.0545(6) -0.0507(6) 0.0498(18) Uani 1 1 d . .
H17 H -0.4222 0.0094 -0.1042 0.06 Uiso 1 1 calc R U
C18 C -0.2768(9) 0.1193(6) 0.0660(6) 0.0466(16) Uani 1 1 d . .
H18 H -0.3777 0.1164 0.0903 0.056 Uiso 1 1 calc R U
C19 C -0.1099(8) 0.1862(5) 0.1453(5) 0.0336(13) Uani 1 1 d . .
H19 H -0.0943 0.2279 0.2241 0.04 Uiso 1 1 calc R U
C20 C 0.0395(8) 0.1926(4) 0.1090(5) 0.0289(12) Uani 1 1 d . .
N21 N 0.4678(6) 0.1827(4) 0.4198(4) 0.0256(10) Uani 1 1 d . .
C22 C 0.3219(7) 0.1671(4) 0.4446(4) 0.0236(11) Uani 1 1 d . .
C23 C 0.2256(7) 0.0566(4) 0.4268(4) 0.0296(12) Uani 1 1 d . .
H23 H 0.1201 0.0465 0.4458 0.035 Uiso 1 1 calc R U
C24 C 0.2875(8) -0.0336(5) 0.3825(5) 0.0350(14) Uani 1 1 d . .
H24 H 0.2244 -0.1068 0.3701 0.042 Uiso 1 1 calc R U
C25 C 0.4441(8) -0.0179(5) 0.3555(4) 0.0311(12) Uani 1 1 d . .
C26 C 0.5176(10) -0.1073(5) 0.3087(5) 0.0429(16) Uani 1 1 d . .
H26 H 0.4578 -0.1827 0.2919 0.052 Uiso 1 1 calc R U
C27 C 0.6742(10) -0.0841(6) 0.2881(5) 0.0469(17) Uani 1 1 d . .
H27 H 0.7232 -0.1437 0.2575 0.056 Uiso 1 1 calc R U
C28 C 0.7624(9) 0.0260(5) 0.3117(5) 0.0407(15) Uani 1 1 d . .
H28 H 0.8714 0.0408 0.2973 0.049 Uiso 1 1 calc R U
C29 C 0.6951(8) 0.1128(5) 0.3550(5) 0.0349(13) Uani 1 1 d . .
H29 H 0.7573 0.1875 0.3709 0.042 Uiso 1 1 calc R U
C30 C 0.5338(8) 0.0923(5) 0.3763(4) 0.0304(12) Uani 1 1 d . .
N31 N 0.2465(6) 0.5706(3) 0.2658(3) 0.0225(9) Uani 1 1 d . .
C32 C 0.1139(7) 0.5767(4) 0.3054(4) 0.0240(11) Uani 1 1 d . .
C33 C -0.0268(8) 0.6157(5) 0.2632(5) 0.0336(13) Uani 1 1 d . .
H33 H -0.1177 0.6236 0.2964 0.04 Uiso 1 1 calc R U
C34 C -0.0317(8) 0.6415(5) 0.1765(5) 0.0345(13) Uani 1 1 d . .
H34 H -0.1259 0.6671 0.1482 0.041 Uiso 1 1 calc R U
C35 C 0.1037(8) 0.6302(4) 0.1281(5) 0.0293(12) Uani 1 1 d . .
C36 C 0.1070(9) 0.6509(5) 0.0340(5) 0.0380(14) Uani 1 1 d . .
H36 H 0.0134 0.6739 0.0005 0.046 Uiso 1 1 calc R U
C37 C 0.2407(10) 0.6386(5) -0.0091(5) 0.0413(16) Uani 1 1 d . .
H37 H 0.24 0.6528 -0.0724 0.05 Uiso 1 1 calc R U
C38 C 0.3798(9) 0.6051(5) 0.0393(5) 0.0408(15) Uani 1 1 d . .
H38 H 0.4738 0.5969 0.009 0.049 Uiso 1 1 calc R U
C39 C 0.3816(8) 0.5838(4) 0.1304(4) 0.0287(12) Uani 1 1 d . .
H39 H 0.4772 0.5616 0.163 0.034 Uiso 1 1 calc R U
C40 C 0.2430(7) 0.5947(4) 0.1757(4) 0.0263(11) 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 0.0048 0.0023 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.5748 1.4626 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.009 0.0047 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1589 0.1699 '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
N11 Ag1 S3 116.30(11) . .
N11 Ag1 S2 115.82(10) . .
S3 Ag1 S2 119.26(5) . .
N11 Ag1 Ag3 83.86(11) . .
S3 Ag1 Ag3 78.18(5) . .
S2 Ag1 Ag3 136.04(4) . .
N11 Ag1 Ag2 84.00(12) . .
S3 Ag1 Ag2 136.81(4) . .
S2 Ag1 Ag2 76.95(4) . .
Ag3 Ag1 Ag2 66.01(4) . .
N11 Ag1 Ag3 138.93(11) . 2_666
S3 Ag1 Ag3 101.62(4) . 2_666
S2 Ag1 Ag3 49.39(4) . 2_666
Ag3 Ag1 Ag3 89.31(5) . 2_666
Ag2 Ag1 Ag3 56.56(3) . 2_666
N11 Ag1 Ag2 138.67(10) . 2_666
S3 Ag1 Ag2 49.30(5) . 2_666
S2 Ag1 Ag2 102.21(4) . 2_666
Ag3 Ag1 Ag2 56.62(3) . 2_666
Ag2 Ag1 Ag2 89.67(5) . 2_666
Ag3 Ag1 Ag2 59.64(3) 2_666 2_666
N21 Ag2 S1 117.79(11) . .
N21 Ag2 S3 113.58(12) . 2_666
S1 Ag2 S3 117.88(5) . 2_666
N21 Ag2 Ag3 84.12(11) . 2_666
S1 Ag2 Ag3 137.64(4) . 2_666
S3 Ag2 Ag3 78.26(6) 2_666 2_666
N21 Ag2 Ag1 86.27(12) . .
S1 Ag2 Ag1 78.69(4) . .
S3 Ag2 Ag1 137.51(5) 2_666 .
Ag3 Ag2 Ag1 66.38(4) 2_666 .
N21 Ag2 Ag3 141.52(11) . .
S1 Ag2 Ag3 50.06(3) . .
S3 Ag2 Ag3 102.09(5) 2_666 .
Ag3 Ag2 Ag3 89.64(3) 2_666 .
Ag1 Ag2 Ag3 56.78(3) . .
N21 Ag2 Ag1 138.10(10) . 2_666
S1 Ag2 Ag1 102.31(4) . 2_666
S3 Ag2 Ag1 49.37(4) 2_666 2_666
Ag3 Ag2 Ag1 56.69(3) 2_666 2_666
Ag1 Ag2 Ag1 90.33(5) . 2_666
Ag3 Ag2 Ag1 60.10(3) . 2_666
N31 Ag3 S2 118.25(11) . 2_666
N31 Ag3 S1 112.89(11) . .
S2 Ag3 S1 118.94(6) 2_666 .
N31 Ag3 Ag2 86.29(11) . 2_666
S2 Ag3 Ag2 77.49(5) 2_666 2_666
S1 Ag3 Ag2 137.64(4) . 2_666
N31 Ag3 Ag1 82.06(11) . .
S2 Ag3 Ag1 137.72(4) 2_666 .
S1 Ag3 Ag1 78.57(5) . .
Ag2 Ag3 Ag1 66.69(3) 2_666 .
N31 Ag3 Ag2 136.53(11) . .
S2 Ag3 Ag2 103.12(5) 2_666 .
S1 Ag3 Ag2 49.32(4) . .
Ag2 Ag3 Ag2 90.36(3) 2_666 .
Ag1 Ag3 Ag2 57.22(4) . .
N31 Ag3 Ag1 142.12(10) . 2_666
S2 Ag3 Ag1 49.79(4) 2_666 2_666
S1 Ag3 Ag1 101.82(5) . 2_666
Ag2 Ag3 Ag1 57.06(4) 2_666 2_666
Ag1 Ag3 Ag1 90.69(5) . 2_666
Ag2 Ag3 Ag1 60.26(3) . 2_666
C12 S1 Ag2 106.78(17) . .
C12 S1 Ag3 104.16(18) . .
Ag2 S1 Ag3 80.62(4) . .
C22 S2 Ag3 106.42(18) . 2_666
C22 S2 Ag1 106.82(17) . .
Ag3 S2 Ag1 80.82(5) 2_666 .
C32 S3 Ag2 104.69(18) . 2_666
C32 S3 Ag1 106.01(18) . .
Ag2 S3 Ag1 81.33(6) 2_666 .
C12 N11 C20 119.3(4) . .
C12 N11 Ag1 120.8(3) . .
C20 N11 Ag1 119.7(3) . .
N11 C12 C13 120.9(5) . .
N11 C12 S1 121.8(4) . .
C13 C12 S1 117.3(4) . .
C14 C13 C12 120.3(5) . .
C14 C13 H13 119.8 . .
C12 C13 H13 119.8 . .
C13 C14 C15 120.2(5) . .
C13 C14 H14 119.9 . .
C15 C14 H14 119.9 . .
C14 C15 C16 123.6(5) . .
C14 C15 C20 117.2(5) . .
C16 C15 C20 119.1(6) . .
C17 C16 C15 120.8(6) . .
C17 C16 H16 119.6 . .
C15 C16 H16 119.6 . .
C16 C17 C18 119.9(6) . .
C16 C17 H17 120 . .
C18 C17 H17 120 . .
C19 C18 C17 121.9(6) . .
C19 C18 H18 119.1 . .
C17 C18 H18 119.1 . .
C18 C19 C20 119.1(6) . .
C18 C19 H19 120.4 . .
C20 C19 H19 120.4 . .
N11 C20 C19 118.8(5) . .
N11 C20 C15 122.0(5) . .
C19 C20 C15 119.1(5) . .
C22 N21 C30 120.1(5) . .
C22 N21 Ag2 119.8(3) . .
C30 N21 Ag2 119.8(3) . .
N21 C22 C23 121.1(5) . .
N21 C22 S2 121.5(4) . .
C23 C22 S2 117.4(4) . .
C24 C23 C22 119.5(5) . .
C24 C23 H23 120.2 . .
C22 C23 H23 120.2 . .
C23 C24 C25 119.9(5) . .
C23 C24 H24 120 . .
C25 C24 H24 120 . .
C24 C25 C30 117.9(5) . .
C24 C25 C26 123.6(5) . .
C30 C25 C26 118.5(6) . .
C27 C26 C25 120.0(6) . .
C27 C26 H26 120 . .
C25 C26 H26 120 . .
C26 C27 C28 120.5(6) . .
C26 C27 H27 119.8 . .
C28 C27 H27 119.8 . .
C29 C28 C27 121.1(6) . .
C29 C28 H28 119.5 . .
C27 C28 H28 119.5 . .
C28 C29 C30 120.1(6) . .
C28 C29 H29 119.9 . .
C30 C29 H29 119.9 . .
N21 C30 C29 118.7(5) . .
N21 C30 C25 121.4(5) . .
C29 C30 C25 119.8(5) . .
C32 N31 C40 119.3(4) . .
C32 N31 Ag3 119.6(3) . .
C40 N31 Ag3 120.4(3) . .
N31 C32 C33 121.5(5) . .
N31 C32 S3 121.3(4) . .
C33 C32 S3 117.2(4) . .
C34 C33 C32 120.3(5) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
C33 C34 C35 119.6(5) . .
C33 C34 H34 120.2 . .
C35 C34 H34 120.2 . .
C34 C35 C40 117.7(5) . .
C34 C35 C36 123.9(5) . .
C40 C35 C36 118.4(5) . .
C37 C36 C35 121.4(6) . .
C37 C36 H36 119.3 . .
C35 C36 H36 119.3 . .
C36 C37 C38 120.0(5) . .
C36 C37 H37 120 . .
C38 C37 H37 120 . .
C39 C38 C37 120.4(6) . .
C39 C38 H38 119.8 . .
C37 C38 H38 119.8 . .
C38 C39 C40 120.5(6) . .
C38 C39 H39 119.7 . .
C40 C39 H39 119.7 . .
N31 C40 C39 119.2(5) . .
N31 C40 C35 121.6(5) . .
C39 C40 C35 119.2(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N11 2.325(4) .
Ag1 S3 2.4854(16) .
Ag1 S2 2.5006(14) .
Ag1 Ag3 2.9459(15) .
Ag1 Ag2 2.961(2) .
Ag1 Ag3 3.2323(18) 2_666
Ag1 Ag2 3.2373(14) 2_666
Ag2 N21 2.317(4) .
Ag2 S1 2.4728(16) .
Ag2 S3 2.483(2) 2_666
Ag2 Ag3 2.9436(12) 2_666
Ag2 Ag3 3.2171(9) .
Ag2 Ag1 3.2373(14) 2_666
Ag3 N31 2.325(4) .
Ag3 S2 2.486(2) 2_666
Ag3 S1 2.5001(15) .
Ag3 Ag2 2.9437(12) 2_666
Ag3 Ag1 3.2323(18) 2_666
S1 C12 1.751(5) .
S2 C22 1.751(5) .
S2 Ag3 2.485(2) 2_666
S3 C32 1.757(5) .
S3 Ag2 2.483(2) 2_666
N11 C12 1.312(6) .
N11 C20 1.375(7) .
C12 C13 1.447(7) .
C13 C14 1.332(8) .
C13 H13 0.95 .
C14 C15 1.405(8) .
C14 H14 0.95 .
C15 C16 1.413(8) .
C15 C20 1.420(8) .
C16 C17 1.342(10) .
C16 H16 0.95 .
C17 C18 1.405(10) .
C17 H17 0.95 .
C18 C19 1.362(8) .
C18 H18 0.95 .
C19 C20 1.410(8) .
C19 H19 0.95 .
N21 C22 1.305(7) .
N21 C30 1.390(7) .
C22 C23 1.444(7) .
C23 C24 1.368(8) .
C23 H23 0.95 .
C24 C25 1.403(9) .
C24 H24 0.95 .
C25 C30 1.409(8) .
C25 C26 1.427(8) .
C26 C27 1.368(10) .
C26 H26 0.95 .
C27 C28 1.392(9) .
C27 H27 0.95 .
C28 C29 1.360(8) .
C28 H28 0.95 .
C29 C30 1.403(8) .
C29 H29 0.95 .
N31 C32 1.310(7) .
N31 C40 1.381(6) .
C32 C33 1.425(8) .
C33 C34 1.348(8) .
C33 H33 0.95 .
C34 C35 1.407(8) .
C34 H34 0.95 .
C35 C40 1.412(8) .
C35 C36 1.418(7) .
C36 C37 1.352(9) .
C36 H36 0.95 .
C37 C38 1.398(9) .
C37 H37 0.95 .
C38 C39 1.374(8) .
C38 H38 0.95 .
C39 C40 1.404(8) .
C39 H39 0.95 .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168303408
