#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:24:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179244 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/64/4316446.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_4316446
loop_
_publ_author_name
'Norio Nakata'
'Takashige Ikeda'
'Akihiko Ishii'
_publ_section_title
;
 Syntheses of Selenolato-Bridged Dinuclear Hydridoplatinum Complexes
 [Pt2H2(μ-SetBu)2(PPh3)2] and [Pt2H(SetBu)(μ-SetBu)2(PPh3)2]: Unusual
 Thermal Reaction of Hydrido(1,1-Dimethylethaneselenolato) Platinum
 Complex cis-[PtH(SetBu)(PPh3)2]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8112
_journal_page_last               8116
_journal_paper_doi               10.1021/ic1011742
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C40 H40 P2 Pt Se'
_chemical_formula_sum            'C40 H40 P2 Pt Se'
_chemical_formula_weight         856.71
_chemical_name_common            '[PtH(SetBu)(PPh3)2]'
_chemical_name_systematic
; 
 [PtH(SetBu)(PPh3)2]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.2180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4447(6)
_cell_length_b                   21.0275(11)
_cell_length_c                   16.5542(9)
_cell_measurement_temperature    103(2)
_cell_volume                     3508.2(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    ORTEP
_computing_publication_material  CIFTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      103(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0448
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20918
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    5.155
_exptl_absorpt_correction_T_max  0.6540
_exptl_absorpt_correction_T_min  0.3069
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            paleyellow
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         4.264
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         6529
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0539P)²+11.6381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1082
_reflns_number_gt                5446
_reflns_number_total             6529
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1011742_si_002.cif
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4316446
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 0.17595(2) 0.241237(11) 0.380827(14) 0.02076(10) Uani 1 1 d D . .
H1 H 0.329(4) 0.2453(8) 0.359(5) 0.05(3) Uiso 1 1 d D . .
Se1 Se 0.21053(7) 0.12768(3) 0.39344(4) 0.02748(17) Uani 1 1 d D . .
C1 C 0.3966(7) 0.1092(3) 0.3862(4) 0.0318(16) Uani 1 1 d . . .
C2 C 0.5005(7) 0.1432(4) 0.4549(4) 0.0394(18) Uani 1 1 d . . .
H2 H 0.5892 0.1279 0.4549 0.059 Uiso 1 1 calc R . .
H3 H 0.4838 0.1343 0.5094 0.059 Uiso 1 1 calc R . .
H4 H 0.4951 0.1891 0.4445 0.059 Uiso 1 1 calc R . .
C3 C 0.4155(7) 0.1257(4) 0.3002(4) 0.0342(17) Uani 1 1 d . . .
H5 H 0.4019 0.1714 0.2902 0.051 Uiso 1 1 calc R . .
H6 H 0.3510 0.1020 0.2570 0.051 Uiso 1 1 calc R . .
H7 H 0.5056 0.1142 0.2984 0.051 Uiso 1 1 calc R . .
C4 C 0.4082(8) 0.0369(4) 0.4005(5) 0.0429(19) Uani 1 1 d . . .
H8 H 0.3453 0.0151 0.3545 0.064 Uiso 1 1 calc R . .
H9 H 0.3881 0.0264 0.4536 0.064 Uiso 1 1 calc R . .
H10 H 0.4987 0.0231 0.4027 0.064 Uiso 1 1 calc R . .
P1 P -0.03237(17) 0.23415(8) 0.40583(10) 0.0224(4) Uani 1 1 d . . .
C5 C -0.0883(6) 0.1548(3) 0.4280(4) 0.0231(14) Uani 1 1 d . . .
C6 C -0.1355(8) 0.1129(3) 0.3623(4) 0.0356(17) Uani 1 1 d . . .
H11 H -0.1435 0.1265 0.3064 0.043 Uiso 1 1 calc R . .
C7 C -0.1714(7) 0.0511(3) 0.3774(5) 0.0369(18) Uani 1 1 d . . .
H12 H -0.2031 0.0225 0.3321 0.044 Uiso 1 1 calc R . .
C8 C -0.1606(7) 0.0316(3) 0.4593(5) 0.0366(17) Uani 1 1 d . . .
H13 H -0.1854 -0.0104 0.4702 0.044 Uiso 1 1 calc R . .
C9 C -0.1143(7) 0.0728(3) 0.5237(4) 0.0356(17) Uani 1 1 d . . .
H14 H -0.1073 0.0594 0.5794 0.043 Uiso 1 1 calc R . .
C10 C -0.0772(7) 0.1343(3) 0.5091(4) 0.0285(15) Uani 1 1 d . . .
H15 H -0.0443 0.1624 0.5548 0.034 Uiso 1 1 calc R . .
C11 C -0.1700(7) 0.2606(3) 0.3199(4) 0.0251(14) Uani 1 1 d . . .
C12 C -0.1424(7) 0.2857(3) 0.2487(4) 0.0312(15) Uani 1 1 d . . .
H16 H -0.0531 0.2901 0.2461 0.037 Uiso 1 1 calc R . .
C13 C -0.2471(8) 0.3045(4) 0.1806(5) 0.0401(19) Uani 1 1 d . . .
H17 H -0.2278 0.3219 0.1321 0.048 Uiso 1 1 calc R . .
C14 C -0.3739(8) 0.2981(4) 0.1832(5) 0.0406(19) Uani 1 1 d . . .
H18 H -0.4435 0.3108 0.1365 0.049 Uiso 1 1 calc R . .
C15 C -0.4041(8) 0.2730(4) 0.2541(5) 0.0405(18) Uani 1 1 d . . .
H19 H -0.4938 0.2698 0.2563 0.049 Uiso 1 1 calc R . .
C16 C -0.3024(7) 0.2526(3) 0.3212(5) 0.0331(16) Uani 1 1 d . . .
H20 H -0.3228 0.2333 0.3681 0.040 Uiso 1 1 calc R . .
C17 C -0.0393(7) 0.2802(3) 0.4992(4) 0.0288(15) Uani 1 1 d . . .
C18 C 0.0781(7) 0.2838(3) 0.5623(4) 0.0316(16) Uani 1 1 d . . .
H21 H 0.1555 0.2628 0.5561 0.038 Uiso 1 1 calc R . .
C19 C 0.0823(9) 0.3186(4) 0.6350(5) 0.043(2) Uani 1 1 d . . .
H22 H 0.1619 0.3203 0.6788 0.052 Uiso 1 1 calc R . .
C20 C -0.0272(10) 0.3499(4) 0.6430(5) 0.052(2) Uani 1 1 d . . .
H23 H -0.0230 0.3745 0.6918 0.063 Uiso 1 1 calc R . .
C21 C -0.1451(9) 0.3463(4) 0.5807(5) 0.050(2) Uani 1 1 d . . .
H24 H -0.2218 0.3678 0.5870 0.059 Uiso 1 1 calc R . .
C22 C -0.1506(8) 0.3110(4) 0.5089(5) 0.0400(18) Uani 1 1 d . . .
H25 H -0.2315 0.3081 0.4663 0.048 Uiso 1 1 calc R . .
P2 P 0.20407(16) 0.34705(8) 0.37377(9) 0.0201(3) Uani 1 1 d . . .
C23 C 0.2815(6) 0.3689(3) 0.2905(4) 0.0206(13) Uani 1 1 d . . .
C24 C 0.3818(7) 0.4141(3) 0.3014(4) 0.0303(15) Uani 1 1 d . . .
H26 H 0.4176 0.4323 0.3551 0.036 Uiso 1 1 calc R . .
C25 C 0.4291(8) 0.4323(3) 0.2360(5) 0.0377(17) Uani 1 1 d . . .
H27 H 0.4989 0.4626 0.2450 0.045 Uiso 1 1 calc R . .
C26 C 0.3780(7) 0.4079(3) 0.1572(4) 0.0356(17) Uani 1 1 d . . .
H28 H 0.4095 0.4224 0.1116 0.043 Uiso 1 1 calc R . .
C27 C 0.2800(7) 0.3618(3) 0.1449(4) 0.0332(16) Uani 1 1 d . . .
H29 H 0.2445 0.3443 0.0908 0.040 Uiso 1 1 calc R . .
C28 C 0.2336(7) 0.3413(3) 0.2121(4) 0.0271(14) Uani 1 1 d . . .
H30 H 0.1692 0.3084 0.2043 0.033 Uiso 1 1 calc R . .
C29 C 0.3171(6) 0.3784(3) 0.4695(4) 0.0240(14) Uani 1 1 d . . .
C30 C 0.3182(6) 0.4426(3) 0.4891(4) 0.0237(14) Uani 1 1 d . . .
H31 H 0.2586 0.4709 0.4531 0.028 Uiso 1 1 calc R . .
C31 C 0.4064(7) 0.4655(3) 0.5612(4) 0.0301(15) Uani 1 1 d . . .
H32 H 0.4063 0.5094 0.5747 0.036 Uiso 1 1 calc R . .
C32 C 0.4944(7) 0.4247(3) 0.6136(4) 0.0305(16) Uani 1 1 d . . .
H33 H 0.5560 0.4406 0.6622 0.037 Uiso 1 1 calc R . .
C33 C 0.4922(7) 0.3610(4) 0.5948(4) 0.0386(18) Uani 1 1 d . . .
H34 H 0.5519 0.3330 0.6311 0.046 Uiso 1 1 calc R . .
C34 C 0.4032(7) 0.3368(3) 0.5228(4) 0.0329(16) Uani 1 1 d . . .
H35 H 0.4016 0.2926 0.5106 0.039 Uiso 1 1 calc R . .
C35 C 0.0672(6) 0.4044(3) 0.3561(4) 0.0242(14) Uani 1 1 d . . .
C36 C 0.0231(7) 0.4372(3) 0.2799(4) 0.0341(17) Uani 1 1 d . . .
H36 H 0.0630 0.4291 0.2356 0.041 Uiso 1 1 calc R . .
C37 C -0.0783(8) 0.4814(4) 0.2691(5) 0.0398(18) Uani 1 1 d . . .
H37 H -0.1068 0.5040 0.2178 0.048 Uiso 1 1 calc R . .
C38 C -0.1381(8) 0.4926(4) 0.3330(5) 0.0390(18) Uani 1 1 d . . .
H38 H -0.2080 0.5228 0.3254 0.047 Uiso 1 1 calc R . .
C39 C -0.0965(7) 0.4601(3) 0.4081(4) 0.0334(16) Uani 1 1 d . . .
H39 H -0.1393 0.4670 0.4514 0.040 Uiso 1 1 calc R . .
C40 C 0.0076(6) 0.4177(3) 0.4195(4) 0.0256(14) Uani 1 1 d . . .
H40 H 0.0389 0.3971 0.4721 0.031 Uiso 1 1 calc R . .
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Pt1 P1 102.33(6) . . ?
P2 Pt1 Se1 164.32(5) . . ?
P1 Pt1 Se1 92.69(4) . . ?
P2 Pt1 H1 78.5(5) . . ?
P1 Pt1 H1 178(2) . . ?
Se1 Pt1 H1 86.7(5) . . ?
C1 Se1 Pt1 108.1(2) . . ?
C2 C1 C3 110.3(6) . . ?
C2 C1 C4 109.6(6) . . ?
C3 C1 C4 110.1(6) . . ?
C2 C1 Se1 111.9(5) . . ?
C3 C1 Se1 111.9(5) . . ?
C4 C1 Se1 102.7(5) . . ?
C1 C2 H2 109.5 . . ?
C1 C2 H3 109.5 . . ?
H2 C2 H3 109.5 . . ?
C1 C2 H4 109.5 . . ?
H2 C2 H4 109.5 . . ?
H3 C2 H4 109.5 . . ?
C1 C3 H5 109.5 . . ?
C1 C3 H6 109.5 . . ?
H5 C3 H6 109.5 . . ?
C1 C3 H7 109.5 . . ?
H5 C3 H7 109.5 . . ?
H6 C3 H7 109.5 . . ?
C1 C4 H8 109.5 . . ?
C1 C4 H9 109.5 . . ?
H8 C4 H9 109.5 . . ?
C1 C4 H10 109.5 . . ?
H8 C4 H10 109.5 . . ?
H9 C4 H10 109.5 . . ?
C11 P1 C5 101.9(3) . . ?
C11 P1 C17 107.3(3) . . ?
C5 P1 C17 103.0(3) . . ?
C11 P1 Pt1 115.1(2) . . ?
C5 P1 Pt1 117.1(2) . . ?
C17 P1 Pt1 111.1(2) . . ?
C10 C5 C6 119.1(6) . . ?
C10 C5 P1 121.7(5) . . ?
C6 C5 P1 119.1(5) . . ?
C5 C6 C7 120.6(6) . . ?
C5 C6 H11 119.7 . . ?
C7 C6 H11 119.7 . . ?
C6 C7 C8 119.5(7) . . ?
C6 C7 H12 120.2 . . ?
C8 C7 H12 120.2 . . ?
C9 C8 C7 119.7(7) . . ?
C9 C8 H13 120.1 . . ?
C7 C8 H13 120.1 . . ?
C8 C9 C10 121.0(7) . . ?
C8 C9 H14 119.5 . . ?
C10 C9 H14 119.5 . . ?
C5 C10 C9 120.1(6) . . ?
C5 C10 H15 120.0 . . ?
C9 C10 H15 120.0 . . ?
C12 C11 C16 118.9(6) . . ?
C12 C11 P1 118.8(5) . . ?
C16 C11 P1 122.2(5) . . ?
C11 C12 C13 119.9(7) . . ?
C11 C12 H16 120.1 . . ?
C13 C12 H16 120.1 . . ?
C14 C13 C12 120.8(7) . . ?
C14 C13 H17 119.6 . . ?
C12 C13 H17 119.6 . . ?
C13 C14 C15 120.4(7) . . ?
C13 C14 H18 119.8 . . ?
C15 C14 H18 119.8 . . ?
C16 C15 C14 119.7(7) . . ?
C16 C15 H19 120.2 . . ?
C14 C15 H19 120.2 . . ?
C15 C16 C11 120.2(7) . . ?
C15 C16 H20 119.9 . . ?
C11 C16 H20 119.9 . . ?
C22 C17 C18 119.5(7) . . ?
C22 C17 P1 124.4(6) . . ?
C18 C17 P1 116.1(5) . . ?
C17 C18 C19 119.9(7) . . ?
C17 C18 H21 120.1 . . ?
C19 C18 H21 120.1 . . ?
C20 C19 C18 120.1(8) . . ?
C20 C19 H22 120.0 . . ?
C18 C19 H22 120.0 . . ?
C19 C20 C21 120.5(7) . . ?
C19 C20 H23 119.7 . . ?
C21 C20 H23 119.7 . . ?
C20 C21 C22 119.7(8) . . ?
C20 C21 H24 120.1 . . ?
C22 C21 H24 120.1 . . ?
C17 C22 C21 120.3(8) . . ?
C17 C22 H25 119.9 . . ?
C21 C22 H25 119.9 . . ?
C23 P2 C29 104.5(3) . . ?
C23 P2 C35 101.3(3) . . ?
C29 P2 C35 101.5(3) . . ?
C23 P2 Pt1 112.1(2) . . ?
C29 P2 Pt1 111.9(2) . . ?
C35 P2 Pt1 123.4(2) . . ?
C28 C23 C24 118.8(6) . . ?
C28 C23 P2 118.5(5) . . ?
C24 C23 P2 122.6(5) . . ?
C25 C24 C23 120.5(6) . . ?
C25 C24 H26 119.7 . . ?
C23 C24 H26 119.7 . . ?
C24 C25 C26 121.3(7) . . ?
C24 C25 H27 119.3 . . ?
C26 C25 H27 119.3 . . ?
C25 C26 C27 119.3(7) . . ?
C25 C26 H28 120.3 . . ?
C27 C26 H28 120.3 . . ?
C26 C27 C28 119.9(6) . . ?
C26 C27 H29 120.1 . . ?
C28 C27 H29 120.1 . . ?
C23 C28 C27 120.1(6) . . ?
C23 C28 H30 120.0 . . ?
C27 C28 H30 120.0 . . ?
C30 C29 C34 120.0(6) . . ?
C30 C29 P2 121.0(5) . . ?
C34 C29 P2 119.0(5) . . ?
C29 C30 C31 120.0(6) . . ?
C29 C30 H31 120.0 . . ?
C31 C30 H31 120.0 . . ?
C32 C31 C30 120.4(6) . . ?
C32 C31 H32 119.8 . . ?
C30 C31 H32 119.8 . . ?
C33 C32 C31 119.6(6) . . ?
C33 C32 H33 120.2 . . ?
C31 C32 H33 120.2 . . ?
C32 C33 C34 121.0(7) . . ?
C32 C33 H34 119.5 . . ?
C34 C33 H34 119.5 . . ?
C29 C34 C33 119.0(7) . . ?
C29 C34 H35 120.5 . . ?
C33 C34 H35 120.5 . . ?
C40 C35 C36 118.3(6) . . ?
C40 C35 P2 120.0(5) . . ?
C36 C35 P2 121.6(5) . . ?
C37 C36 C35 120.4(7) . . ?
C37 C36 H36 119.8 . . ?
C35 C36 H36 119.8 . . ?
C38 C37 C36 119.9(7) . . ?
C38 C37 H37 120.1 . . ?
C36 C37 H37 120.1 . . ?
C37 C38 C39 120.3(7) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 H38 119.8 . . ?
C40 C39 C38 119.5(7) . . ?
C40 C39 H39 120.3 . . ?
C38 C39 H39 120.3 . . ?
C39 C40 C35 121.5(6) . . ?
C39 C40 H40 119.3 . . ?
C35 C40 H40 119.3 . . ?
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 P2 2.2512(16) . ?
Pt1 P1 2.3239(18) . ?
Pt1 Se1 2.4157(7) . ?
Pt1 H1 1.732(10) . ?
Se1 C1 2.017(7) . ?
C1 C2 1.528(9) . ?
C1 C3 1.527(10) . ?
C1 C4 1.538(10) . ?
C2 H2 0.9800 . ?
C2 H3 0.9800 . ?
C2 H4 0.9800 . ?
C3 H5 0.9800 . ?
C3 H6 0.9800 . ?
C3 H7 0.9800 . ?
C4 H8 0.9800 . ?
C4 H9 0.9800 . ?
C4 H10 0.9800 . ?
P1 C11 1.823(7) . ?
P1 C5 1.837(6) . ?
P1 C17 1.842(7) . ?
C5 C10 1.385(9) . ?
C5 C6 1.385(9) . ?
C6 C7 1.393(10) . ?
C6 H11 0.9500 . ?
C7 C8 1.393(10) . ?
C7 H12 0.9500 . ?
C8 C9 1.360(10) . ?
C8 H13 0.9500 . ?
C9 C10 1.389(9) . ?
C9 H14 0.9500 . ?
C10 H15 0.9500 . ?
C11 C12 1.389(9) . ?
C11 C16 1.399(10) . ?
C12 C13 1.406(9) . ?
C12 H16 0.9500 . ?
C13 C14 1.343(11) . ?
C13 H17 0.9500 . ?
C14 C15 1.397(11) . ?
C14 H18 0.9500 . ?
C15 C16 1.387(10) . ?
C15 H19 0.9500 . ?
C16 H20 0.9500 . ?
C17 C22 1.376(10) . ?
C17 C18 1.388(10) . ?
C18 C19 1.399(10) . ?
C18 H21 0.9500 . ?
C19 C20 1.355(12) . ?
C19 H22 0.9500 . ?
C20 C21 1.386(12) . ?
C20 H23 0.9500 . ?
C21 C22 1.390(10) . ?
C21 H24 0.9500 . ?
C22 H25 0.9500 . ?
P2 C23 1.831(6) . ?
P2 C29 1.832(6) . ?
P2 C35 1.833(6) . ?
C23 C28 1.388(8) . ?
C23 C24 1.391(9) . ?
C24 C25 1.358(10) . ?
C24 H26 0.9500 . ?
C25 C26 1.373(10) . ?
C25 H27 0.9500 . ?
C26 C27 1.384(10) . ?
C26 H28 0.9500 . ?
C27 C28 1.393(9) . ?
C27 H29 0.9500 . ?
C28 H30 0.9500 . ?
C29 C30 1.388(9) . ?
C29 C34 1.391(9) . ?
C30 C31 1.389(9) . ?
C30 H31 0.9500 . ?
C31 C32 1.383(10) . ?
C31 H32 0.9500 . ?
C32 C33 1.373(10) . ?
C32 H33 0.9500 . ?
C33 C34 1.400(9) . ?
C33 H34 0.9500 . ?
C34 H35 0.9500 . ?
C35 C40 1.382(9) . ?
C35 C36 1.406(9) . ?
C36 C37 1.385(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.383(10) . ?
C37 H37 0.9500 . ?
C38 C39 1.385(10) . ?
C38 H38 0.9500 . ?
C39 C40 1.381(9) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
