#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/20/2202028.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2202028
loop_
_publ_author_name
'Wu, Mei-Mei'
'Zhang, Li-Yi'
'Qin, Yong-Hai'
'Chen, Zhong-Ning'
_publ_section_title
;(4,4'-Dimethyl-2,2'-bipyridine)(ethynylbenzene)(triphenylphosphine)platinum(II)
 hexafluoroantimonate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m210
_journal_page_last               m211
_journal_paper_doi               10.1107/S1600536803006834
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac
'[Pt (C8 H5) (C18 H15 P) (C12 H12 N2)] (Sb F6)'
_chemical_formula_moiety         'C38 H32 N2 P Pt 1+, F6 Sb 1-'
_chemical_formula_sum            'C38 H32 F6 N2 P Pt Sb'
_chemical_formula_weight         978.47
_chemical_name_common            'Sb Pt P F6 N2 C38 H32'
_chemical_name_systematic
;(4,4'-dimethyl-2,2'-bipyridine)(ethynylbenzene)(triphenylphosphine)platinum(II)
hexafluoroantimonate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.9150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.4131(4)
_cell_length_b                   10.1848(2)
_cell_length_c                   24.7099(7)
_cell_measurement_reflns_used    4988
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.08
_cell_measurement_theta_min      1.54
_cell_volume                     3583.46(16)
_computing_cell_refinement       'SMART and SAINT (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'XPREP (Siemens, 1994)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Siemens, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       ω
_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  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            10524
_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.759
_exptl_absorpt_correction_T_max  0.304
_exptl_absorpt_correction_T_min  0.194
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.814
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          .50
_exptl_crystal_size_mid          .30
_exptl_crystal_size_min          .25
_refine_diff_density_max         1.035
_refine_diff_density_min         -0.614
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.193
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         6291
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.193
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0387P)²+9.8193P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0924
_refine_ls_wR_factor_ref         0.1099
_reflns_number_gt                4473
_reflns_number_total             6291
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh6047.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2202028
_cod_database_fobs_code          2202028
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Pt 0.11648(2) 0.00002(3) 0.094070(11) 0.04068(11) Uani d . 1 . . Pt
Sb 0.49147(5) 0.18053(7) 0.10878(3) 0.06338(19) Uani d . 1 . . Sb
P 0.06876(14) -0.0455(2) 0.17434(8) 0.0424(5) Uani d . 1 . . P
F1 0.4859(4) 0.0352(6) 0.0637(3) 0.101(2) Uani d . 1 . . F
F2 0.6135(6) 0.1462(11) 0.1340(6) 0.227(7) Uani d . 1 . . F
F3 0.5005(5) 0.3269(7) 0.1539(2) 0.104(2) Uani d . 1 . . F
F4 0.3707(6) 0.2193(13) 0.0842(5) 0.219(6) Uani d . 1 . . F
F5 0.4544(11) 0.0870(10) 0.1626(4) 0.229(7) Uani d . 1 . . F
F6 0.5241(11) 0.2795(10) 0.0542(4) 0.219(6) Uani d . 1 . . F
N1 0.1700(4) 0.0471(6) 0.0236(3) 0.0418(15) Uani d . 1 . . N
N2 0.2270(4) -0.1346(6) 0.0971(2) 0.0416(15) Uani d . 1 . . N
C1 0.0150(6) 0.1284(8) 0.0793(3) 0.0470(19) Uani d . 1 . . C
C2 -0.0466(6) 0.2070(8) 0.0645(3) 0.050(2) Uani d . 1 . . C
C3 -0.1147(5) 0.3057(8) 0.0450(3) 0.047(2) Uani d . 1 . . C
C4 -0.1952(6) 0.3232(9) 0.0678(4) 0.063(2) Uani d . 1 . . C
H4A -0.2067 0.2677 0.0959 0.075 Uiso calc R 1 . . H
C5 -0.2598(7) 0.4219(12) 0.0500(5) 0.081(3) Uani d . 1 . . C
H5A -0.3133 0.4342 0.0661 0.098 Uiso calc R 1 . . H
C6 -0.2414(9) 0.5006(11) 0.0074(6) 0.094(4) Uani d . 1 . . C
H6A -0.2845 0.5656 -0.0056 0.113 Uiso calc R 1 . . H
C7 -0.1622(10) 0.4866(11) -0.0166(5) 0.084(3) Uani d . 1 . . C
H7A -0.1513 0.5414 -0.0450 0.101 Uiso calc R 1 . . H
C8 -0.0995(7) 0.3899(9) 0.0026(4) 0.063(2) Uani d . 1 . . C
H8A -0.0453 0.3801 -0.0131 0.076 Uiso calc R 1 . . H
C11 0.1695(5) -0.0594(8) 0.2290(3) 0.0410(18) Uani d . 1 . . C
C12 0.1662(6) -0.1371(8) 0.2743(3) 0.051(2) Uani d . 1 . . C
H12A 0.1114 -0.1825 0.2776 0.061 Uiso calc R 1 . . H
C13 0.2437(6) -0.1483(9) 0.3150(3) 0.057(2) Uani d . 1 . . C
H13A 0.2403 -0.1996 0.3457 0.069 Uiso calc R 1 . . H
C14 0.3252(6) -0.0837(9) 0.3098(4) 0.057(2) Uani d . 1 . . C
H14A 0.3775 -0.0924 0.3368 0.069 Uiso calc R 1 . . H
C15 0.3297(6) -0.0068(9) 0.2654(4) 0.063(2) Uani d . 1 . . C
H15A 0.3849 0.0381 0.2624 0.075 Uiso calc R 1 . . H
C16 0.2525(6) 0.0054(8) 0.2242(3) 0.054(2) Uani d . 1 . . C
H16A 0.2565 0.0569 0.1936 0.065 Uiso calc R 1 . . H
C21 -0.0079(6) 0.0718(8) 0.2017(3) 0.049(2) Uani d . 1 . . C
C22 0.0280(7) 0.1662(9) 0.2385(4) 0.063(2) Uani d . 1 . . C
H22A 0.0926 0.1718 0.2494 0.076 Uiso calc R 1 . . H
C23 -0.0314(9) 0.2547(11) 0.2598(4) 0.084(3) Uani d . 1 . . C
H23A -0.0064 0.3178 0.2851 0.101 Uiso calc R 1 . . H
C24 -0.1256(9) 0.2478(12) 0.2434(5) 0.081(3) Uani d . 1 . . C
H24A -0.1649 0.3068 0.2574 0.097 Uiso calc R 1 . . H
C25 -0.1635(7) 0.1547(12) 0.2062(5) 0.080(3) Uani d . 1 . . C
H25A -0.2282 0.1497 0.1956 0.095 Uiso calc R 1 . . H
C26 -0.1043(6) 0.0682(10) 0.1846(4) 0.066(3) Uani d . 1 . . C
H26A -0.1295 0.0071 0.1584 0.079 Uiso calc R 1 . . H
C31 0.0069(5) -0.2006(8) 0.1732(3) 0.0453(19) Uani d . 1 . . C
C32 -0.0498(6) -0.2332(10) 0.2123(4) 0.061(2) Uani d . 1 . . C
H32A -0.0575 -0.1739 0.2399 0.073 Uiso calc R 1 . . H
C33 -0.0944(6) -0.3540(10) 0.2100(4) 0.067(3) Uani d . 1 . . C
H33A -0.1318 -0.3754 0.2361 0.081 Uiso calc R 1 . . H
C34 -0.0838(7) -0.4421(11) 0.1695(4) 0.070(3) Uani d . 1 . . C
H34A -0.1132 -0.5235 0.1687 0.084 Uiso calc R 1 . . H
C35 -0.0305(6) -0.4107(9) 0.1308(4) 0.061(2) Uani d . 1 . . C
H35A -0.0246 -0.4700 0.1029 0.073 Uiso calc R 1 . . H
C36 0.0155(6) -0.2903(8) 0.1325(3) 0.050(2) Uani d . 1 . . C
H36A 0.0524 -0.2702 0.1059 0.060 Uiso calc R 1 . . H
C42 0.2498(5) -0.0163(7) 0.0162(3) 0.0397(18) Uani d . 1 . . C
C43 0.2982(6) 0.0174(8) -0.0258(3) 0.052(2) Uani d . 1 . . C
H43A 0.3529 -0.0274 -0.0299 0.063 Uiso calc R 1 . . H
C44 0.2660(6) 0.1170(9) -0.0618(3) 0.050(2) Uani d . 1 . . C
C45 0.1851(6) 0.1797(9) -0.0541(3) 0.053(2) Uani d . 1 . . C
H45A 0.1614 0.2475 -0.0774 0.064 Uiso calc R 1 . . H
C46 0.1388(6) 0.1427(8) -0.0120(3) 0.052(2) Uani d . 1 . . C
H46A 0.0834 0.1858 -0.0080 0.063 Uiso calc R 1 . . H
C47 0.3179(7) 0.1593(11) -0.1071(4) 0.078(3) Uani d . 1 . . C
H47A 0.3721 0.1045 -0.1072 0.118 Uiso calc R 1 . . H
H47B 0.3374 0.2490 -0.1015 0.118 Uiso calc R 1 . . H
H47C 0.2774 0.1513 -0.1417 0.118 Uiso calc R 1 . . H
C52 0.2799(5) -0.1199(7) 0.0564(3) 0.0433(18) Uani d . 1 . . C
C53 0.3537(5) -0.2008(8) 0.0522(4) 0.051(2) Uani d . 1 . . C
H53A 0.3887 -0.1869 0.0241 0.062 Uiso calc R 1 . . H
C54 0.3782(6) -0.3034(8) 0.0887(4) 0.056(2) Uani d . 1 . . C
C55 0.3234(6) -0.3164(9) 0.1299(4) 0.055(2) Uani d . 1 . . C
H55A 0.3367 -0.3830 0.1557 0.066 Uiso calc R 1 . . H
C56 0.2498(6) -0.2325(8) 0.1332(3) 0.051(2) Uani d . 1 . . C
H56A 0.2146 -0.2438 0.1614 0.061 Uiso calc R 1 . . H
C57 0.4592(7) -0.3934(10) 0.0842(5) 0.076(3) Uani d . 1 . . C
H57A 0.4650 -0.4569 0.1132 0.114 Uiso calc R 1 . . H
H57B 0.5161 -0.3431 0.0869 0.114 Uiso calc R 1 . . H
H57C 0.4484 -0.4379 0.0495 0.114 Uiso calc R 1 . . H
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'
F F 0.0171 0.0103 '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'
Sb Sb -0.5866 1.5461 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
C1 Pt N1 93.0(3) yes
C1 Pt N2 171.2(3) yes
N1 Pt N2 78.6(2) yes
C1 Pt P 88.9(2) yes
N1 Pt P 175.58(18) yes
N2 Pt P 99.68(18) yes
F5 Sb F4 89.0(7) ?
F5 Sb F6 177.4(7) ?
F4 Sb F6 88.6(7) ?
F5 Sb F2 91.6(7) ?
F4 Sb F2 178.4(5) ?
F6 Sb F2 90.7(7) ?
F5 Sb F1 91.8(4) ?
F4 Sb F1 91.3(4) ?
F6 Sb F1 89.3(4) ?
F2 Sb F1 90.1(4) ?
F5 Sb F3 89.0(4) ?
F4 Sb F3 90.0(4) ?
F6 Sb F3 89.9(4) ?
F2 Sb F3 88.5(4) ?
F1 Sb F3 178.4(3) ?
C31 P C21 104.6(4) ?
C31 P C11 106.1(4) ?
C21 P C11 103.5(4) ?
C31 P Pt 112.5(3) ?
C21 P Pt 118.6(3) ?
C11 P Pt 110.6(3) ?
C46 N1 C42 117.6(7) ?
C46 N1 Pt 126.1(5) ?
C42 N1 Pt 116.0(5) ?
C56 N2 C52 117.7(7) ?
C56 N2 Pt 128.0(5) ?
C52 N2 Pt 114.2(5) ?
C2 C1 Pt 173.2(7) ?
C1 C2 C3 175.7(9) ?
C4 C3 C8 117.9(8) ?
C4 C3 C2 121.9(8) ?
C8 C3 C2 120.2(8) ?
C3 C4 C5 121.8(10) ?
C3 C4 H4A 119.1 ?
C5 C4 H4A 119.1 ?
C6 C5 C4 117.5(11) ?
C6 C5 H5A 121.3 ?
C4 C5 H5A 121.3 ?
C7 C6 C5 122.6(11) ?
C7 C6 H6A 118.7 ?
C5 C6 H6A 118.7 ?
C8 C7 C6 118.3(11) ?
C8 C7 H7A 120.8 ?
C6 C7 H7A 120.8 ?
C7 C8 C3 121.9(10) ?
C7 C8 H8A 119.1 ?
C3 C8 H8A 119.1 ?
C12 C11 C16 118.7(7) ?
C12 C11 P 121.4(6) ?
C16 C11 P 119.8(6) ?
C11 C12 C13 120.7(8) ?
C11 C12 H12A 119.6 ?
C13 C12 H12A 119.6 ?
C14 C13 C12 119.9(8) ?
C14 C13 H13A 120.0 ?
C12 C13 H13A 120.0 ?
C15 C14 C13 120.1(8) ?
C15 C14 H14A 120.0 ?
C13 C14 H14A 120.0 ?
C14 C15 C16 120.5(8) ?
C14 C15 H15A 119.7 ?
C16 C15 H15A 119.7 ?
C11 C16 C15 119.9(8) ?
C11 C16 H16A 120.0 ?
C15 C16 H16A 120.0 ?
C22 C21 C26 118.6(8) ?
C22 C21 P 121.2(7) ?
C26 C21 P 120.2(7) ?
C21 C22 C23 120.8(10) ?
C21 C22 H22A 119.6 ?
C23 C22 H22A 119.6 ?
C24 C23 C22 119.7(10) ?
C24 C23 H23A 120.1 ?
C22 C23 H23A 120.1 ?
C23 C24 C25 120.8(10) ?
C23 C24 H24A 119.6 ?
C25 C24 H24A 119.6 ?
C24 C25 C26 119.4(10) ?
C24 C25 H25A 120.3 ?
C26 C25 H25A 120.3 ?
C21 C26 C25 120.7(10) ?
C21 C26 H26A 119.6 ?
C25 C26 H26A 119.6 ?
C36 C31 C32 118.4(8) ?
C36 C31 P 119.3(6) ?
C32 C31 P 122.3(6) ?
C33 C32 C31 119.9(9) ?
C33 C32 H32A 120.0 ?
C31 C32 H32A 120.0 ?
C34 C33 C32 120.6(9) ?
C34 C33 H33A 119.7 ?
C32 C33 H33A 119.7 ?
C35 C34 C33 120.0(9) ?
C35 C34 H34A 120.0 ?
C33 C34 H34A 120.0 ?
C34 C35 C36 120.4(9) ?
C34 C35 H35A 119.8 ?
C36 C35 H35A 119.8 ?
C31 C36 C35 120.7(8) ?
C31 C36 H36A 119.7 ?
C35 C36 H36A 119.7 ?
N1 C42 C43 121.4(7) ?
N1 C42 C52 114.8(7) ?
C43 C42 C52 123.8(7) ?
C42 C43 C44 120.5(8) ?
C42 C43 H43A 119.7 ?
C44 C43 H43A 119.7 ?
C45 C44 C43 117.5(8) ?
C45 C44 C47 120.2(8) ?
C43 C44 C47 122.2(8) ?
C44 C45 C46 120.1(8) ?
C44 C45 H45A 119.9 ?
C46 C45 H45A 119.9 ?
N1 C46 C45 122.9(8) ?
N1 C46 H46A 118.6 ?
C45 C46 H46A 118.6 ?
C44 C47 H47A 109.5 ?
C44 C47 H47B 109.5 ?
H47A C47 H47B 109.5 ?
C44 C47 H47C 109.5 ?
H47A C47 H47C 109.5 ?
H47B C47 H47C 109.5 ?
N2 C52 C53 121.5(7) ?
N2 C52 C42 116.0(7) ?
C53 C52 C42 122.4(7) ?
C52 C53 C54 121.9(8) ?
C52 C53 H53A 119.1 ?
C54 C53 H53A 119.1 ?
C55 C54 C53 115.6(8) ?
C55 C54 C57 122.3(8) ?
C53 C54 C57 122.2(9) ?
C56 C55 C54 121.1(8) ?
C56 C55 H55A 119.4 ?
C54 C55 H55A 119.4 ?
N2 C56 C55 122.2(8) ?
N2 C56 H56A 118.9 ?
C55 C56 H56A 118.9 ?
C54 C57 H57A 109.5 ?
C54 C57 H57B 109.5 ?
H57A C57 H57B 109.5 ?
C54 C57 H57C 109.5 ?
H57A C57 H57C 109.5 ?
H57B C57 H57C 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt C1 . 1.954(9) yes
Pt N1 . 2.068(6) yes
Pt N2 . 2.094(6) yes
Pt P . 2.246(2) yes
Sb F5 . 1.783(8) ?
Sb F4 . 1.797(8) ?
Sb F6 . 1.803(9) ?
Sb F2 . 1.807(7) ?
Sb F1 . 1.847(6) ?
Sb F3 . 1.854(6) ?
P C31 . 1.812(8) ?
P C21 . 1.827(8) ?
P C11 . 1.828(8) ?
N1 C46 . 1.341(10) ?
N1 C42 . 1.356(9) ?
N2 C56 . 1.343(9) ?
N2 C52 . 1.362(9) ?
C1 C2 . 1.209(11) ?
C2 C3 . 1.435(11) ?
C3 C4 . 1.378(11) ?
C3 C8 . 1.397(12) ?
C4 C5 . 1.395(13) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.381(17) ?
C5 H5A . 0.9300 ?
C6 C7 . 1.373(18) ?
C6 H6A . 0.9300 ?
C7 C8 . 1.370(14) ?
C7 H7A . 0.9300 ?
C8 H8A . 0.9300 ?
C11 C12 . 1.378(10) ?
C11 C16 . 1.387(11) ?
C12 C13 . 1.387(11) ?
C12 H12A . 0.9300 ?
C13 C14 . 1.370(11) ?
C13 H13A . 0.9300 ?
C14 C15 . 1.359(12) ?
C14 H14A . 0.9300 ?
C15 C16 . 1.392(12) ?
C15 H15A . 0.9300 ?
C16 H16A . 0.9300 ?
C21 C22 . 1.367(12) ?
C21 C26 . 1.389(12) ?
C22 C23 . 1.401(13) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.357(15) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.372(15) ?
C24 H24A . 0.9300 ?
C25 C26 . 1.389(13) ?
C25 H25A . 0.9300 ?
C26 H26A . 0.9300 ?
C31 C36 . 1.378(11) ?
C31 C32 . 1.400(11) ?
C32 C33 . 1.385(12) ?
C32 H32A . 0.9300 ?
C33 C34 . 1.369(14) ?
C33 H33A . 0.9300 ?
C34 C35 . 1.356(13) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.391(11) ?
C35 H35A . 0.9300 ?
C36 H36A . 0.9300 ?
C42 C43 . 1.380(11) ?
C42 C52 . 1.468(10) ?
C43 C44 . 1.381(11) ?
C43 H43A . 0.9300 ?
C44 C45 . 1.368(11) ?
C44 C47 . 1.505(11) ?
C45 C46 . 1.372(11) ?
C45 H45A . 0.9300 ?
C46 H46A . 0.9300 ?
C47 H47A . 0.9600 ?
C47 H47B . 0.9600 ?
C47 H47C . 0.9600 ?
C52 C53 . 1.363(10) ?
C53 C54 . 1.390(11) ?
C53 H53A . 0.9300 ?
C54 C55 . 1.387(12) ?
C54 C57 . 1.503(12) ?
C55 C56 . 1.375(11) ?
C55 H55A . 0.9300 ?
C56 H56A . 0.9300 ?
C57 H57A . 0.9600 ?
C57 H57B . 0.9600 ?
C57 H57C . 0.9600 ?
