#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:28:45 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179792 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/88/7008864.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_7008864
loop_
_publ_author_name
'Weisheit, Thomas'
'Escudero, Daniel'
'Petzold, Holm'
'Görls, Helmar'
'González, Leticia'
'Weigand, Wolfgang'
_publ_section_title
;
 Photochemical behavior of (diphosphine)(η(2)-tolane)Pt(0) complexes.
 Part A: Experimental considerations in solution and in the solid state.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9493
_journal_page_last               9504
_journal_paper_doi               10.1039/b925562a
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C44 H32 Br2 P2 Pt'
_chemical_formula_sum            'C44 H32 Br2 P2 Pt'
_chemical_formula_weight         977.55
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                100.791(2)
_cell_angle_beta                 96.609(2)
_cell_angle_gamma                107.566(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7128(4)
_cell_length_b                   11.4086(4)
_cell_length_c                   16.6238(6)
_cell_measurement_reflns_used    11771
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.15
_cell_volume                     1870.52(12)
_computing_cell_refinement       DENZO
_computing_data_collection       COLLECT
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.914
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi- + omega-scan'
_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  0.0485
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            11771
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.15
_exptl_absorpt_coefficient_mu    6.003
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             948
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.396
_refine_diff_density_min         -1.646
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7820
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0577
_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)+(0.0815P)²+1.4693P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1268
_reflns_number_gt                6807
_reflns_number_total             7820
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B925562A.TXT
_cod_data_source_block           FO3143
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'NONE' changed to 'none' 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_database_code               7008864
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
Pt Pt -0.000412(19) 0.007918(18) 0.277066(12) 0.02760(9) Uani 1 1 d . . .
Br1 Br 0.43871(9) -0.22540(8) 0.57797(5) 0.0635(2) Uani 1 1 d . . .
Br2 Br -0.35213(15) -0.66138(9) -0.01940(8) 0.1094(5) Uani 1 1 d . . .
P1 P 0.09888(14) 0.21324(13) 0.34340(9) 0.0285(3) Uani 1 1 d . . .
P2 P -0.15106(14) 0.07615(13) 0.21064(9) 0.0283(3) Uani 1 1 d . . .
C1 C -0.0179(6) -0.1771(5) 0.2414(4) 0.0322(11) Uani 1 1 d . . .
C2 C 0.0821(6) -0.1234(5) 0.3025(4) 0.0327(12) Uani 1 1 d . . .
C3 C 0.1732(6) -0.1464(6) 0.3648(4) 0.0331(12) Uani 1 1 d . . .
C4 C 0.2518(7) -0.0498(6) 0.4312(4) 0.0435(15) Uani 1 1 d . . .
H4A H 0.2515 0.0339 0.4333 0.052 Uiso 1 1 calc R . .
C5 C 0.3308(8) -0.0715(7) 0.4947(4) 0.0493(17) Uani 1 1 d . . .
H5A H 0.3822 -0.0043 0.5406 0.059 Uiso 1 1 calc R . .
C6 C 0.3336(7) -0.1930(7) 0.4903(4) 0.0446(15) Uani 1 1 d . . .
C7 C 0.2642(8) -0.2884(7) 0.4241(5) 0.056(2) Uani 1 1 d . . .
H7A H 0.2708 -0.3704 0.4206 0.067 Uiso 1 1 calc R . .
C8 C 0.1833(8) -0.2667(6) 0.3613(5) 0.0499(17) Uani 1 1 d . . .
H8A H 0.1340 -0.3344 0.3153 0.060 Uiso 1 1 calc R . .
C9 C -0.0973(6) -0.2950(5) 0.1805(4) 0.0351(12) Uani 1 1 d . . .
C10 C -0.2301(7) -0.3143(6) 0.1489(4) 0.0436(15) Uani 1 1 d . . .
H10A H -0.2687 -0.2518 0.1678 0.052 Uiso 1 1 calc R . .
C11 C -0.3057(8) -0.4226(7) 0.0906(5) 0.0575(19) Uani 1 1 d . . .
H11A H -0.3965 -0.4355 0.0700 0.069 Uiso 1 1 calc R . .
C12 C -0.2502(10) -0.5110(7) 0.0626(5) 0.064(2) Uani 1 1 d . . .
C13 C -0.1177(9) -0.4942(7) 0.0900(5) 0.057(2) Uani 1 1 d . . .
H13A H -0.0790 -0.5552 0.0681 0.069 Uiso 1 1 calc R . .
C14 C -0.0429(8) -0.3863(7) 0.1503(4) 0.0476(16) Uani 1 1 d . . .
H14A H 0.0473 -0.3748 0.1713 0.057 Uiso 1 1 calc R . .
C15 C -0.0211(6) 0.2967(5) 0.3326(3) 0.0309(11) Uani 1 1 d . . .
C16 C -0.0087(6) 0.4127(6) 0.3822(4) 0.0413(14) Uani 1 1 d . . .
H16A H 0.0617 0.4504 0.4289 0.050 Uiso 1 1 calc R . .
C17 C -0.0974(7) 0.4744(6) 0.3646(5) 0.0465(15) Uani 1 1 d . . .
H17A H -0.0890 0.5531 0.4000 0.056 Uiso 1 1 calc R . .
C18 C -0.1985(7) 0.4223(6) 0.2955(4) 0.0429(14) Uani 1 1 d . . .
H18A H -0.2575 0.4664 0.2823 0.051 Uiso 1 1 calc R . .
C19 C -0.2133(6) 0.3040(6) 0.2450(4) 0.0391(13) Uani 1 1 d . . .
H19A H -0.2822 0.2680 0.1972 0.047 Uiso 1 1 calc R . .
C20 C -0.1272(6) 0.2393(5) 0.2648(4) 0.0307(11) Uani 1 1 d . . .
C21 C 0.1778(6) 0.2644(5) 0.4526(3) 0.0302(11) Uani 1 1 d . . .
C22 C 0.1229(7) 0.1945(6) 0.5074(4) 0.0398(13) Uani 1 1 d . . .
H22A H 0.0411 0.1266 0.4884 0.048 Uiso 1 1 calc R . .
C23 C 0.1865(7) 0.2230(7) 0.5897(4) 0.0462(15) Uani 1 1 d . . .
H23A H 0.1479 0.1740 0.6265 0.055 Uiso 1 1 calc R . .
C24 C 0.3030(7) 0.3198(7) 0.6182(4) 0.0447(15) Uani 1 1 d . . .
H24A H 0.3470 0.3364 0.6741 0.054 Uiso 1 1 calc R . .
C25 C 0.3578(7) 0.3943(7) 0.5664(4) 0.0460(15) Uani 1 1 d . . .
H25A H 0.4370 0.4648 0.5874 0.055 Uiso 1 1 calc R . .
C26 C 0.2963(6) 0.3658(6) 0.4828(4) 0.0411(14) Uani 1 1 d . . .
H26A H 0.3352 0.4156 0.4465 0.049 Uiso 1 1 calc R . .
C27 C 0.2291(6) 0.2908(5) 0.2899(3) 0.0319(11) Uani 1 1 d . . .
C28 C 0.3183(6) 0.2306(6) 0.2689(4) 0.0394(13) Uani 1 1 d . . .
H28A H 0.3115 0.1523 0.2832 0.047 Uiso 1 1 calc R . .
C29 C 0.4182(7) 0.2830(8) 0.2271(5) 0.0549(18) Uani 1 1 d . . .
H29A H 0.4791 0.2402 0.2131 0.066 Uiso 1 1 calc R . .
C30 C 0.4299(8) 0.3957(8) 0.2059(5) 0.059(2) Uani 1 1 d . . .
H30A H 0.4983 0.4309 0.1771 0.071 Uiso 1 1 calc R . .
C31 C 0.3407(9) 0.4584(8) 0.2268(5) 0.064(2) Uani 1 1 d . . .
H31A H 0.3486 0.5371 0.2130 0.077 Uiso 1 1 calc R . .
C32 C 0.2403(7) 0.4052(7) 0.2679(5) 0.0489(16) Uani 1 1 d . . .
H32A H 0.1784 0.4472 0.2813 0.059 Uiso 1 1 calc R . .
C33 C -0.1396(6) 0.0829(6) 0.1029(4) 0.0357(12) Uani 1 1 d . . .
C34 C -0.0621(8) 0.1927(7) 0.0840(4) 0.0476(16) Uani 1 1 d . . .
H34A H -0.0223 0.2681 0.1264 0.057 Uiso 1 1 calc R . .
C35 C -0.0437(10) 0.1910(10) 0.0028(5) 0.066(2) Uani 1 1 d . . .
H35A H 0.0072 0.2663 -0.0106 0.079 Uiso 1 1 calc R . .
C36 C -0.0982(9) 0.0819(10) -0.0585(5) 0.063(2) Uani 1 1 d . . .
H36A H -0.0831 0.0817 -0.1138 0.076 Uiso 1 1 calc R . .
C37 C -0.1742(8) -0.0268(10) -0.0406(4) 0.060(2) Uani 1 1 d . . .
H37A H -0.2134 -0.1016 -0.0836 0.072 Uiso 1 1 calc R . .
C38 C -0.1942(7) -0.0280(8) 0.0410(4) 0.0472(16) Uani 1 1 d . . .
H38A H -0.2447 -0.1039 0.0539 0.057 Uiso 1 1 calc R . .
C39 C -0.3284(6) -0.0023(5) 0.2079(4) 0.0334(12) Uani 1 1 d . . .
C40 C -0.4282(7) 0.0028(7) 0.1481(4) 0.0459(15) Uani 1 1 d . . .
H40A H -0.4048 0.0436 0.1045 0.055 Uiso 1 1 calc R . .
C41 C -0.5602(7) -0.0510(7) 0.1520(5) 0.0530(18) Uani 1 1 d . . .
H41A H -0.6273 -0.0478 0.1106 0.064 Uiso 1 1 calc R . .
C42 C -0.5959(7) -0.1094(8) 0.2149(5) 0.0558(19) Uani 1 1 d . . .
H42A H -0.6871 -0.1452 0.2179 0.067 Uiso 1 1 calc R . .
C43 C -0.4973(8) -0.1153(8) 0.2739(5) 0.0562(19) Uani 1 1 d . . .
H43A H -0.5213 -0.1565 0.3172 0.067 Uiso 1 1 calc R . .
C44 C -0.3632(7) -0.0617(6) 0.2705(4) 0.0429(14) Uani 1 1 d . . .
H44A H -0.2963 -0.0663 0.3114 0.051 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'
Br Br -0.2901 2.4595 '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
C1 Pt C2 37.1(2) . . ?
C1 Pt P1 156.50(17) . . ?
C2 Pt P1 119.81(17) . . ?
C1 Pt P2 118.07(17) . . ?
C2 Pt P2 155.17(17) . . ?
P1 Pt P2 85.00(5) . . ?
C21 P1 C15 105.5(3) . . ?
C21 P1 C27 103.9(3) . . ?
C15 P1 C27 103.2(3) . . ?
C21 P1 Pt 123.06(19) . . ?
C15 P1 Pt 108.89(18) . . ?
C27 P1 Pt 110.47(19) . . ?
C33 P2 C39 104.5(3) . . ?
C33 P2 C20 104.9(3) . . ?
C39 P2 C20 101.8(3) . . ?
C33 P2 Pt 116.0(2) . . ?
C39 P2 Pt 119.0(2) . . ?
C20 P2 Pt 108.87(18) . . ?
C2 C1 C9 145.9(6) . . ?
C2 C1 Pt 71.9(3) . . ?
C9 C1 Pt 142.2(4) . . ?
C1 C2 C3 144.4(6) . . ?
C1 C2 Pt 70.9(4) . . ?
C3 C2 Pt 142.8(4) . . ?
C4 C3 C8 117.1(6) . . ?
C4 C3 C2 120.9(6) . . ?
C8 C3 C2 121.9(5) . . ?
C5 C4 C3 121.9(6) . . ?
C5 C4 H4A 119.0 . . ?
C3 C4 H4A 119.0 . . ?
C4 C5 C6 118.8(6) . . ?
C4 C5 H5A 120.6 . . ?
C6 C5 H5A 120.6 . . ?
C7 C6 C5 121.0(6) . . ?
C7 C6 Br1 119.5(5) . . ?
C5 C6 Br1 119.4(5) . . ?
C6 C7 C8 119.9(6) . . ?
C6 C7 H7A 120.1 . . ?
C8 C7 H7A 120.1 . . ?
C7 C8 C3 121.0(6) . . ?
C7 C8 H8A 119.5 . . ?
C3 C8 H8A 119.5 . . ?
C14 C9 C10 118.3(6) . . ?
C14 C9 C1 122.0(6) . . ?
C10 C9 C1 119.6(6) . . ?
C11 C10 C9 120.7(7) . . ?
C11 C10 H10A 119.6 . . ?
C9 C10 H10A 119.6 . . ?
C12 C11 C10 119.7(8) . . ?
C12 C11 H11A 120.1 . . ?
C10 C11 H11A 120.1 . . ?
C11 C12 C13 121.6(7) . . ?
C11 C12 Br2 120.6(7) . . ?
C13 C12 Br2 117.7(6) . . ?
C12 C13 C14 118.3(7) . . ?
C12 C13 H13A 120.8 . . ?
C14 C13 H13A 120.8 . . ?
C9 C14 C13 121.2(7) . . ?
C9 C14 H14A 119.4 . . ?
C13 C14 H14A 119.4 . . ?
C16 C15 C20 119.7(5) . . ?
C16 C15 P1 124.7(5) . . ?
C20 C15 P1 115.4(4) . . ?
C17 C16 C15 120.7(6) . . ?
C17 C16 H16A 119.6 . . ?
C15 C16 H16A 119.6 . . ?
C16 C17 C18 120.3(6) . . ?
C16 C17 H17A 119.8 . . ?
C18 C17 H17A 119.8 . . ?
C17 C18 C19 119.7(6) . . ?
C17 C18 H18A 120.2 . . ?
C19 C18 H18A 120.2 . . ?
C20 C19 C18 120.0(6) . . ?
C20 C19 H19A 120.0 . . ?
C18 C19 H19A 120.0 . . ?
C19 C20 C15 119.4(5) . . ?
C19 C20 P2 123.2(5) . . ?
C15 C20 P2 117.3(4) . . ?
C22 C21 C26 118.5(5) . . ?
C22 C21 P1 118.5(5) . . ?
C26 C21 P1 122.9(5) . . ?
C21 C22 C23 120.5(6) . . ?
C21 C22 H22A 119.7 . . ?
C23 C22 H22A 119.7 . . ?
C24 C23 C22 120.7(6) . . ?
C24 C23 H23A 119.7 . . ?
C22 C23 H23A 119.7 . . ?
C23 C24 C25 120.4(6) . . ?
C23 C24 H24A 119.8 . . ?
C25 C24 H24A 119.8 . . ?
C24 C25 C26 119.7(6) . . ?
C24 C25 H25A 120.1 . . ?
C26 C25 H25A 120.1 . . ?
C21 C26 C25 120.1(6) . . ?
C21 C26 H26A 119.9 . . ?
C25 C26 H26A 119.9 . . ?
C28 C27 C32 118.8(6) . . ?
C28 C27 P1 117.6(5) . . ?
C32 C27 P1 123.6(5) . . ?
C27 C28 C29 120.7(7) . . ?
C27 C28 H28A 119.7 . . ?
C29 C28 H28A 119.7 . . ?
C30 C29 C28 120.7(7) . . ?
C30 C29 H29A 119.7 . . ?
C28 C29 H29A 119.7 . . ?
C29 C30 C31 119.5(7) . . ?
C29 C30 H30A 120.2 . . ?
C31 C30 H30A 120.2 . . ?
C32 C31 C30 119.6(8) . . ?
C32 C31 H31A 120.2 . . ?
C30 C31 H31A 120.2 . . ?
C31 C32 C27 120.7(7) . . ?
C31 C32 H32A 119.6 . . ?
C27 C32 H32A 119.6 . . ?
C38 C33 C34 119.9(6) . . ?
C38 C33 P2 118.8(5) . . ?
C34 C33 P2 120.7(5) . . ?
C35 C34 C33 119.4(8) . . ?
C35 C34 H34A 120.3 . . ?
C33 C34 H34A 120.3 . . ?
C36 C35 C34 120.8(8) . . ?
C36 C35 H35A 119.6 . . ?
C34 C35 H35A 119.6 . . ?
C37 C36 C35 120.3(7) . . ?
C37 C36 H36A 119.8 . . ?
C35 C36 H36A 119.8 . . ?
C36 C37 C38 120.2(8) . . ?
C36 C37 H37A 119.9 . . ?
C38 C37 H37A 119.9 . . ?
C33 C38 C37 119.4(8) . . ?
C33 C38 H38A 120.3 . . ?
C37 C38 H38A 120.3 . . ?
C44 C39 C40 119.4(6) . . ?
C44 C39 P2 117.8(5) . . ?
C40 C39 P2 122.7(5) . . ?
C41 C40 C39 120.4(7) . . ?
C41 C40 H40A 119.8 . . ?
C39 C40 H40A 119.8 . . ?
C42 C41 C40 120.6(7) . . ?
C42 C41 H41A 119.7 . . ?
C40 C41 H41A 119.7 . . ?
C41 C42 C43 119.1(7) . . ?
C41 C42 H42A 120.4 . . ?
C43 C42 H42A 120.4 . . ?
C42 C43 C44 120.8(7) . . ?
C42 C43 H43A 119.6 . . ?
C44 C43 H43A 119.6 . . ?
C39 C44 C43 119.7(7) . . ?
C39 C44 H44A 120.2 . . ?
C43 C44 H44A 120.2 . . ?
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
Pt C1 2.027(6) . ?
Pt C2 2.039(6) . ?
Pt P1 2.2569(14) . ?
Pt P2 2.2583(14) . ?
Br1 C6 1.899(6) . ?
Br2 C12 1.909(7) . ?
P1 C21 1.818(6) . ?
P1 C15 1.828(6) . ?
P1 C27 1.831(6) . ?
P2 C33 1.823(6) . ?
P2 C39 1.831(6) . ?
P2 C20 1.837(6) . ?
C1 C2 1.295(8) . ?
C1 C9 1.469(8) . ?
C2 C3 1.454(8) . ?
C3 C4 1.384(9) . ?
C3 C8 1.400(9) . ?
C4 C5 1.382(9) . ?
C4 H4A 0.9500 . ?
C5 C6 1.383(10) . ?
C5 H5A 0.9500 . ?
C6 C7 1.350(10) . ?
C7 C8 1.386(9) . ?
C7 H7A 0.9500 . ?
C8 H8A 0.9500 . ?
C9 C14 1.383(9) . ?
C9 C10 1.395(9) . ?
C10 C11 1.375(10) . ?
C10 H10A 0.9500 . ?
C11 C12 1.355(12) . ?
C11 H11A 0.9500 . ?
C12 C13 1.384(13) . ?
C13 C14 1.386(10) . ?
C13 H13A 0.9500 . ?
C14 H14A 0.9500 . ?
C15 C16 1.381(8) . ?
C15 C20 1.403(8) . ?
C16 C17 1.378(9) . ?
C16 H16A 0.9500 . ?
C17 C18 1.384(10) . ?
C17 H17A 0.9500 . ?
C18 C19 1.402(9) . ?
C18 H18A 0.9500 . ?
C19 C20 1.392(8) . ?
C19 H19A 0.9500 . ?
C21 C22 1.386(8) . ?
C21 C26 1.397(8) . ?
C22 C23 1.389(9) . ?
C22 H22A 0.9500 . ?
C23 C24 1.356(10) . ?
C23 H23A 0.9500 . ?
C24 C25 1.377(10) . ?
C24 H24A 0.9500 . ?
C25 C26 1.402(8) . ?
C25 H25A 0.9500 . ?
C26 H26A 0.9500 . ?
C27 C28 1.375(9) . ?
C27 C32 1.395(9) . ?
C28 C29 1.388(10) . ?
C28 H28A 0.9500 . ?
C29 C30 1.370(12) . ?
C29 H29A 0.9500 . ?
C30 C31 1.393(13) . ?
C30 H30A 0.9500 . ?
C31 C32 1.387(11) . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9500 . ?
C33 C38 1.389(10) . ?
C33 C34 1.392(10) . ?
C34 C35 1.384(10) . ?
C34 H34A 0.9500 . ?
C35 C36 1.370(14) . ?
C35 H35A 0.9500 . ?
C36 C37 1.369(13) . ?
C36 H36A 0.9500 . ?
C37 C38 1.400(10) . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9500 . ?
C39 C44 1.372(9) . ?
C39 C40 1.396(9) . ?
C40 C41 1.376(10) . ?
C40 H40A 0.9500 . ?
C41 C42 1.372(12) . ?
C41 H41A 0.9500 . ?
C42 C43 1.382(12) . ?
C42 H42A 0.9500 . ?
C43 C44 1.393(10) . ?
C43 H43A 0.9500 . ?
C44 H44A 0.9500 . ?
