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#$Date: 2025-08-21 14:21:36 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301847 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/01/56/7015628.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_7015628
loop_
_publ_author_name
'Zhang, Shuanming'
'Pattacini, Roberto'
'Braunstein, Pierre'
_publ_section_title
;
 Chelating or bridging Pd(ii) and Pt(ii) metalloligands from the
 functional phosphine ligand
 N-(diphenylphosphino)-1,3,4-thiadiazol-2-amine. New heterometallic
 Pd(ii)/Pt(ii) and Pt(ii)/Au(i) complexes.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5711
_journal_page_last               5719
_journal_paper_doi               10.1039/c0dt01782e
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C28 H22 Cl2 N6 P2 Pd Pt S2, 0.5(C7 H8) '
_chemical_formula_sum            'C31.5 H26 Cl2 N6 P2 Pd Pt S2'
_chemical_formula_weight         987.03
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.536(1)
_cell_angle_beta                 102.871(1)
_cell_angle_gamma                91.897(1)
_cell_formula_units_Z            2
_cell_length_a                   9.9144(3)
_cell_length_b                   13.1141(3)
_cell_length_c                   13.9616(3)
_cell_measurement_reflns_used    4556
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.407
_cell_volume                     1632.85(7)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0935
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11407
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.12
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.254
_exptl_absorpt_correction_T_max  0.56
_exptl_absorpt_correction_T_min  0.44
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.008
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             954
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         3.083
_refine_diff_density_min         -2.195
_refine_diff_density_rms         0.228
_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     431
_refine_ls_number_reflns         7496
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0942
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0518P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0967
_refine_ls_wR_factor_ref         0.1148
_reflns_number_gt                5068
_reflns_number_total             7496
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01782e.txt
_cod_data_source_block           compound4b
_cod_original_formula_sum        'C31.50 H26 Cl2 N6 P2 Pd Pt S2'
_cod_database_code               7015628
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.79034(5) 0.27119(4) 0.26407(4) 0.01965(14) Uani 1 1 d . . .
Pt1 Pt 0.70589(3) 0.45812(2) 0.09865(2) 0.02544(10) Uani 1 1 d . . .
P1 P 0.9805(2) 0.18318(15) 0.28579(14) 0.0249(4) Uani 1 1 d . . .
P2 P 0.6767(2) 0.24808(16) 0.38018(14) 0.0259(4) Uani 1 1 d . . .
N1 N 1.0493(6) 0.1809(5) 0.1869(4) 0.0275(14) Uani 1 1 d . . .
N2 N 0.8756(6) 0.2899(5) 0.1474(4) 0.0240(14) Uani 1 1 d . . .
N3 N 0.8292(6) 0.3338(5) 0.0719(4) 0.0261(14) Uani 1 1 d . . .
N4 N 0.5213(7) 0.2879(5) 0.3466(5) 0.0343(16) Uani 1 1 d . . .
N5 N 0.6150(6) 0.3447(5) 0.2286(4) 0.0266(14) Uani 1 1 d . . .
N6 N 0.5714(6) 0.3830(4) 0.1506(4) 0.0216(13) Uani 1 1 d . . .
Cl1 Cl 0.8433(2) 0.54757(16) 0.03570(15) 0.0349(5) Uani 1 1 d . . .
Cl2 Cl 0.5830(2) 0.60668(14) 0.13463(14) 0.0312(4) Uani 1 1 d . . .
S1 S 1.0224(2) 0.22552(17) 0.01115(14) 0.0339(5) Uani 1 1 d . . .
S2 S 0.3529(2) 0.35184(18) 0.20461(16) 0.0365(5) Uani 1 1 d . . .
C1 C 0.9819(8) 0.2308(6) 0.1284(5) 0.0266(17) Uani 1 1 d . . .
C2 C 0.8941(8) 0.3073(6) -0.0019(6) 0.0323(19) Uani 1 1 d . . .
H2 H 0.8726 0.3312 -0.0594 0.039 Uiso 1 1 calc R . .
C3 C 1.1120(8) 0.2556(6) 0.4085(5) 0.0254(16) Uani 1 1 d . . .
C4 C 1.2021(8) 0.3420(6) 0.4140(6) 0.0324(18) Uani 1 1 d . . .
H4 H 1.1961 0.3595 0.3530 0.039 Uiso 1 1 calc R . .
C5 C 1.2992(9) 0.4020(7) 0.5065(6) 0.039(2) Uani 1 1 d . . .
H5 H 1.3614 0.4604 0.5093 0.047 Uiso 1 1 calc R . .
C6 C 1.3076(8) 0.3783(6) 0.5957(6) 0.037(2) Uani 1 1 d . . .
H6 H 1.3757 0.4198 0.6598 0.044 Uiso 1 1 calc R . .
C7 C 1.2181(9) 0.2954(6) 0.5919(6) 0.036(2) Uani 1 1 d . . .
H7 H 1.2233 0.2803 0.6541 0.043 Uiso 1 1 calc R . .
C8 C 1.1194(8) 0.2325(6) 0.4988(6) 0.0339(19) Uani 1 1 d . . .
H8 H 1.0577 0.1743 0.4968 0.041 Uiso 1 1 calc R . .
C9 C 0.9635(8) 0.0407(6) 0.2717(5) 0.0297(18) Uani 1 1 d . . .
C10 C 1.0862(9) -0.0047(7) 0.2985(6) 0.041(2) Uani 1 1 d . . .
H10 H 1.1741 0.0400 0.3268 0.049 Uiso 1 1 calc R . .
C11 C 1.0768(11) -0.1159(7) 0.2831(6) 0.046(2) Uani 1 1 d . . .
H11 H 1.1589 -0.1471 0.3015 0.055 Uiso 1 1 calc R . .
C12 C 0.9514(12) -0.1803(7) 0.2419(7) 0.051(3) Uani 1 1 d . . .
H12 H 0.9462 -0.2557 0.2332 0.061 Uiso 1 1 calc R . .
C13 C 0.8315(11) -0.1369(7) 0.2124(6) 0.049(2) Uani 1 1 d . . .
H13 H 0.7443 -0.1825 0.1818 0.058 Uiso 1 1 calc R . .
C14 C 0.8399(9) -0.0254(6) 0.2279(6) 0.039(2) Uani 1 1 d . . .
H14 H 0.7576 0.0047 0.2075 0.047 Uiso 1 1 calc R . .
C15 C 0.5103(8) 0.3245(6) 0.2696(5) 0.0276(17) Uani 1 1 d . . .
C16 C 0.4412(9) 0.3928(6) 0.1294(6) 0.036(2) Uani 1 1 d . . .
H16 H 0.3978 0.4199 0.0773 0.043 Uiso 1 1 calc R . .
C17 C 0.7510(8) 0.3264(6) 0.5204(5) 0.0264(17) Uani 1 1 d . . .
C18 C 0.6759(9) 0.3205(6) 0.5926(6) 0.037(2) Uani 1 1 d . . .
H18 H 0.5866 0.2780 0.5669 0.045 Uiso 1 1 calc R . .
C19 C 0.7309(11) 0.3763(7) 0.7011(7) 0.051(3) Uani 1 1 d . . .
H19 H 0.6786 0.3737 0.7497 0.061 Uiso 1 1 calc R . .
C20 C 0.8627(10) 0.4357(7) 0.7384(6) 0.050(3) Uani 1 1 d . . .
H20 H 0.9022 0.4717 0.8128 0.060 Uiso 1 1 calc R . .
C21 C 0.9370(10) 0.4430(7) 0.6681(6) 0.047(3) Uani 1 1 d . . .
H21 H 1.0265 0.4852 0.6938 0.057 Uiso 1 1 calc R . .
C22 C 0.8799(9) 0.3878(6) 0.5595(6) 0.039(2) Uani 1 1 d . . .
H22 H 0.9313 0.3928 0.5112 0.047 Uiso 1 1 calc R . .
C23 C 0.6297(8) 0.1114(6) 0.3739(5) 0.0301(18) Uani 1 1 d . . .
C24 C 0.7092(9) 0.0690(6) 0.4426(6) 0.038(2) Uani 1 1 d . . .
H24 H 0.7894 0.1125 0.4955 0.045 Uiso 1 1 calc R . .
C25 C 0.6702(11) -0.0370(7) 0.4329(7) 0.049(2) Uani 1 1 d . . .
H25 H 0.7227 -0.0656 0.4809 0.059 Uiso 1 1 calc R . .
C26 C 0.5571(11) -0.1016(8) 0.3551(7) 0.054(3) Uani 1 1 d . . .
H26 H 0.5334 -0.1754 0.3478 0.065 Uiso 1 1 calc R . .
C27 C 0.4785(10) -0.0601(7) 0.2883(7) 0.055(3) Uani 1 1 d . . .
H27 H 0.3990 -0.1043 0.2351 0.066 Uiso 1 1 calc R . .
C28 C 0.5151(9) 0.0475(7) 0.2980(6) 0.044(2) Uani 1 1 d . . .
H28 H 0.4599 0.0766 0.2516 0.053 Uiso 1 1 calc R . .
C29 C 0.6660(14) 0.010(2) -0.0273(14) 0.085(7) Uani 0.50 1 d PGU A -1
H29 H 0.7559 0.0136 -0.0401 0.102 Uiso 0.50 1 calc PR A -1
C30 C 0.590(2) 0.0990(19) -0.0189(13) 0.081(6) Uani 0.50 1 d PGU A -1
H30 H 0.6274 0.1626 -0.0260 0.097 Uiso 0.50 1 calc PR A -1
C31 C 0.458(2) 0.0944(14) -0.0001(13) 0.064(5) Uani 0.50 1 d PGU A -1
H31 H 0.4060 0.1549 0.0056 0.077 Uiso 0.50 1 calc PR A -1
C32 C 0.4030(13) 0.0014(16) 0.0104(13) 0.058(5) Uani 0.50 1 d PGU A -1
C33 C 0.4793(18) -0.0871(14) 0.0020(13) 0.064(5) Uani 0.50 1 d PGU A -1
H33 H 0.4416 -0.1507 0.0092 0.077 Uiso 0.50 1 calc PR A -1
C34 C 0.6109(18) -0.0826(19) -0.0168(14) 0.083(6) Uani 0.50 1 d PGU A -1
H34 H 0.6630 -0.1431 -0.0225 0.099 Uiso 0.50 1 calc PR A -1
C35 C 0.265(3) 0.005(2) 0.0389(17) 0.079(8) Uani 0.50 1 d P A -1
H35A H 0.2616 0.0783 0.0908 0.118 Uiso 0.50 1 calc PR A -1
H35B H 0.2545 -0.0505 0.0697 0.118 Uiso 0.50 1 calc PR A -1
H35C H 0.1893 -0.0121 -0.0253 0.118 Uiso 0.50 1 calc PR A -1
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
N5 Pd1 N2 94.7(2) . . ?
N5 Pd1 P1 174.46(16) . . ?
N2 Pd1 P1 80.91(16) . . ?
N5 Pd1 P2 80.72(18) . . ?
N2 Pd1 P2 174.42(16) . . ?
P1 Pd1 P2 103.42(7) . . ?
N6 Pt1 N3 94.7(2) . . ?
N6 Pt1 Cl1 175.90(15) . . ?
N3 Pt1 Cl1 88.82(18) . . ?
N6 Pt1 Cl2 88.46(16) . . ?
N3 Pt1 Cl2 175.63(17) . . ?
Cl1 Pt1 Cl2 88.19(7) . . ?
N1 P1 C9 103.9(3) . . ?
N1 P1 C3 107.1(3) . . ?
C9 P1 C3 105.7(3) . . ?
N1 P1 Pd1 103.6(2) . . ?
C9 P1 Pd1 121.1(3) . . ?
C3 P1 Pd1 114.3(2) . . ?
N4 P2 C23 102.1(4) . . ?
N4 P2 C17 107.9(3) . . ?
C23 P2 C17 103.4(3) . . ?
N4 P2 Pd1 103.7(2) . . ?
C23 P2 Pd1 120.3(2) . . ?
C17 P2 Pd1 117.8(3) . . ?
C1 N1 P1 113.8(5) . . ?
C1 N2 N3 112.4(6) . . ?
C1 N2 Pd1 114.0(4) . . ?
N3 N2 Pd1 132.3(5) . . ?
C2 N3 N2 113.4(6) . . ?
C2 N3 Pt1 123.8(5) . . ?
N2 N3 Pt1 121.1(4) . . ?
C15 N4 P2 113.1(6) . . ?
N6 N5 C15 112.5(5) . . ?
N6 N5 Pd1 130.7(5) . . ?
C15 N5 Pd1 114.0(4) . . ?
C16 N6 N5 115.1(6) . . ?
C16 N6 Pt1 120.5(5) . . ?
N5 N6 Pt1 122.5(4) . . ?
C2 S1 C1 87.9(4) . . ?
C16 S2 C15 88.6(4) . . ?
N1 C1 N2 126.6(7) . . ?
N1 C1 S1 122.0(6) . . ?
N2 C1 S1 111.4(5) . . ?
N3 C2 S1 114.9(5) . . ?
N3 C2 H2 122.5 . . ?
S1 C2 H2 122.5 . . ?
C4 C3 C8 119.3(7) . . ?
C4 C3 P1 118.4(5) . . ?
C8 C3 P1 122.2(6) . . ?
C5 C4 C3 120.4(7) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 120.3(8) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C7 C6 C5 119.9(7) . . ?
C7 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C6 C7 C8 121.1(7) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C7 C8 C3 119.0(7) . . ?
C7 C8 H8 120.5 . . ?
C3 C8 H8 120.5 . . ?
C14 C9 C10 119.5(7) . . ?
C14 C9 P1 122.4(6) . . ?
C10 C9 P1 117.8(6) . . ?
C11 C10 C9 119.0(8) . . ?
C11 C10 H10 120.5 . . ?
C9 C10 H10 120.5 . . ?
C12 C11 C10 120.6(8) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 120.5(8) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 H12 119.8 . . ?
C12 C13 C14 119.3(9) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C9 C14 C13 121.0(8) . . ?
C9 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
N4 C15 N5 126.3(6) . . ?
N4 C15 S2 123.1(6) . . ?
N5 C15 S2 110.6(5) . . ?
N6 C16 S2 113.2(5) . . ?
N6 C16 H16 123.4 . . ?
S2 C16 H16 123.4 . . ?
C22 C17 C18 118.6(7) . . ?
C22 C17 P2 122.9(6) . . ?
C18 C17 P2 118.5(6) . . ?
C19 C18 C17 120.5(9) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C20 C19 C18 119.6(9) . . ?
C20 C19 H19 120.2 . . ?
C18 C19 H19 120.2 . . ?
C21 C20 C19 120.4(8) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C20 C21 C22 119.4(9) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C17 C22 C21 121.5(9) . . ?
C17 C22 H22 119.3 . . ?
C21 C22 H22 119.3 . . ?
C28 C23 C24 119.6(7) . . ?
C28 C23 P2 118.8(6) . . ?
C24 C23 P2 121.6(6) . . ?
C25 C24 C23 119.2(8) . . ?
C25 C24 H24 120.4 . . ?
C23 C24 H24 120.4 . . ?
C26 C25 C24 121.0(8) . . ?
C26 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
C27 C26 C25 119.9(9) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C28 119.9(9) . . ?
C26 C27 H27 120.1 . . ?
C28 C27 H27 120.1 . . ?
C23 C28 C27 120.4(7) . . ?
C23 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C30 C29 C34 120.0 . . ?
C30 C29 H29 120.0 . . ?
C34 C29 H29 120.0 . . ?
C31 C30 C29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C32 C31 C30 120.0 . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C33 120.0 . . ?
C31 C32 C35 117.6(17) . . ?
C33 C32 C35 122.2(17) . . ?
C34 C33 C32 120.0 . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C33 C34 C29 120.0 . . ?
C33 C34 H34 120.0 . . ?
C29 C34 H34 120.0 . . ?
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
Pd1 N5 2.068(5) . ?
Pd1 N2 2.079(6) . ?
Pd1 P1 2.2639(19) . ?
Pd1 P2 2.267(2) . ?
Pt1 N6 2.036(6) . ?
Pt1 N3 2.045(6) . ?
Pt1 Cl1 2.278(2) . ?
Pt1 Cl2 2.2900(18) . ?
P1 N1 1.662(6) . ?
P1 C9 1.804(7) . ?
P1 C3 1.807(7) . ?
P2 N4 1.666(6) . ?
P2 C23 1.803(8) . ?
P2 C17 1.805(7) . ?
N1 C1 1.311(8) . ?
N2 C1 1.345(9) . ?
N2 N3 1.379(7) . ?
N3 C2 1.281(9) . ?
N4 C15 1.315(9) . ?
N5 N6 1.352(7) . ?
N5 C15 1.355(10) . ?
N6 C16 1.280(9) . ?
S1 C2 1.712(8) . ?
S1 C1 1.748(7) . ?
S2 C16 1.718(8) . ?
S2 C15 1.741(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.388(10) . ?
C3 C8 1.389(10) . ?
C4 C5 1.365(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.377(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.357(11) . ?
C6 H6 0.9500 . ?
C7 C8 1.386(10) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
C9 C14 1.354(11) . ?
C9 C10 1.408(10) . ?
C10 C11 1.390(11) . ?
C10 H10 0.9500 . ?
C11 C12 1.358(13) . ?
C11 H11 0.9500 . ?
C12 C13 1.380(13) . ?
C12 H12 0.9500 . ?
C13 C14 1.394(11) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.371(11) . ?
C17 C18 1.402(11) . ?
C18 C19 1.385(11) . ?
C18 H18 0.9500 . ?
C19 C20 1.385(13) . ?
C19 H19 0.9500 . ?
C20 C21 1.378(13) . ?
C20 H20 0.9500 . ?
C21 C22 1.389(10) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C28 1.365(11) . ?
C23 C24 1.390(9) . ?
C24 C25 1.379(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.369(12) . ?
C25 H25 0.9500 . ?
C26 C27 1.361(11) . ?
C26 H26 0.9500 . ?
C27 C28 1.394(11) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.3900 . ?
C29 C34 1.3900 . ?
C29 H29 0.9500 . ?
C30 C31 1.3900 . ?
C30 H30 0.9500 . ?
C31 C32 1.3900 . ?
C31 H31 0.9500 . ?
C32 C33 1.3900 . ?
C32 C35 1.50(3) . ?
C33 C34 1.3900 . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139156459
