#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/77/2227716.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_2227716
loop_
_publ_author_name
'Lee, Gene-Hsiang'
'Wang, Hsiao-Fen'
'Yih, Kuang-Hway'
_publ_section_title
;
 trans-Bromido(pyrimidinyl-κC²)bis(triphenylphosphane-κP)palladium(II)
;
_journal_coeditor_code           JH2211
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1345
_journal_paper_doi               10.1107/S1600536810038511
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pd Br (C4 H3 N2) (C18 H15 P)2]'
_chemical_formula_moiety         'C40 H33 Br N2 P2 Pd'
_chemical_formula_sum            'C40 H33 Br N2 P2 Pd'
_chemical_formula_weight         789.93
_chemical_name_systematic
;
trans-Bromido(pyrimidinyl-κC²)bis(triphenylphosphane-
κP)palladium(II)
;
_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                90.257(2)
_cell_angle_beta                 117.044(2)
_cell_angle_gamma                105.580(2)
_cell_formula_units_Z            2
_cell_length_a                   12.1051(8)
_cell_length_b                   12.7791(8)
_cell_length_c                   12.8987(8)
_cell_measurement_reflns_used    5205
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.17
_cell_volume                     1693.11(19)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0270
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_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            22016
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    1.855
_exptl_absorpt_correction_T_max  0.6542
_exptl_absorpt_correction_T_min  0.4574
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.395
_refine_diff_density_min         -0.400
_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     415
_refine_ls_number_reflns         7762
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0252P)²+0.8169P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0560
_refine_ls_wR_factor_ref         0.0576
_reflns_number_gt                7066
_reflns_number_total             7762
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            jh2211.cif
_cod_data_source_block           I
_cod_database_code               2227716
_cod_database_fobs_code          2227716
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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
Pd Pd 0.373889(12) 0.223763(11) 0.271056(12) 0.01685(4) Uani d U 1 . .
Br Br 0.402981(18) 0.428222(15) 0.282253(18) 0.02526(5) Uani d U 1 . .
P P1 0.16970(4) 0.18272(4) 0.26328(4) 0.01688(9) Uani d . 1 . .
P P2 0.57904(4) 0.25675(4) 0.28544(4) 0.01794(9) Uani d . 1 . .
N N1 0.31551(17) 0.01119(14) 0.15413(15) 0.0285(4) Uani d . 1 . .
N N2 0.40272(16) 0.02238(14) 0.36125(15) 0.0265(4) Uani d . 1 . .
C C1 0.36051(17) 0.06436(15) 0.26102(16) 0.0195(3) Uani d U 1 . .
C C2 0.3112(2) -0.09446(18) 0.1485(2) 0.0391(5) Uani d . 1 . .
H H2 0.2787 -0.1355 0.0736 0.047 Uiso calc R 1 . .
C C3 0.3515(2) -0.14614(18) 0.2462(2) 0.0387(5) Uani d . 1 . .
H H3 0.3476 -0.2213 0.2406 0.046 Uiso calc R 1 . .
C C4 0.3980(2) -0.08343(17) 0.35255(19) 0.0324(5) Uani d . 1 . .
H H4 0.4277 -0.1162 0.4222 0.039 Uiso calc R 1 . .
C C5 0.06796(17) 0.03960(15) 0.21717(16) 0.0191(4) Uani d . 1 . .
C C6 0.10631(19) -0.03726(16) 0.29124(17) 0.0245(4) Uani d . 1 . .
H H6 0.1829 -0.0140 0.3651 0.029 Uiso calc R 1 . .
C C7 0.0338(2) -0.14719(17) 0.25813(19) 0.0298(4) Uani d . 1 . .
H H7 0.0612 -0.1993 0.3086 0.036 Uiso calc R 1 . .
C C8 -0.0787(2) -0.18086(17) 0.1512(2) 0.0323(5) Uani d . 1 . .
H H8 -0.1295 -0.2560 0.1289 0.039 Uiso calc R 1 . .
C C9 -0.1176(2) -0.10562(16) 0.07663(18) 0.0284(4) Uani d . 1 . .
H H9 -0.1946 -0.1292 0.0031 0.034 Uiso calc R 1 . .
C C10 -0.04417(18) 0.00417(15) 0.10901(17) 0.0216(4) Uani d . 1 . .
H H10 -0.0705 0.0555 0.0571 0.026 Uiso calc R 1 . .
C C11 0.06149(17) 0.25643(14) 0.16714(16) 0.0190(4) Uani d . 1 . .
C C12 -0.04724(18) 0.26179(15) 0.17709(17) 0.0237(4) Uani d . 1 . .
H H12 -0.0637 0.2294 0.2368 0.028 Uiso calc R 1 . .
C C13 -0.13095(19) 0.31432(16) 0.10011(18) 0.0269(4) Uani d . 1 . .
H H13 -0.2045 0.3179 0.1075 0.032 Uiso calc R 1 . .
C C14 -0.1082(2) 0.36161(16) 0.01236(18) 0.0293(4) Uani d . 1 . .
H H14 -0.1657 0.3977 -0.0401 0.035 Uiso calc R 1 . .
C C15 -0.0016(2) 0.35582(17) 0.00179(18) 0.0295(4) Uani d . 1 . .
H H15 0.0137 0.3873 -0.0589 0.035 Uiso calc R 1 . .
C C16 0.08367(19) 0.30429(15) 0.07917(17) 0.0233(4) Uani d . 1 . .
H H16 0.1576 0.3018 0.0719 0.028 Uiso calc R 1 . .
C C17 0.18063(17) 0.21461(15) 0.40637(16) 0.0198(4) Uani d . 1 . .
C C18 0.08158(18) 0.15884(16) 0.43204(17) 0.0230(4) Uani d . 1 . .
H H18 0.0093 0.1015 0.3757 0.028 Uiso calc R 1 . .
C C19 0.08851(19) 0.18684(17) 0.53916(17) 0.0257(4) Uani d . 1 . .
H H19 0.0212 0.1487 0.5563 0.031 Uiso calc R 1 . .
C C20 0.1937(2) 0.27055(17) 0.62123(17) 0.0275(4) Uani d . 1 . .
H H20 0.1983 0.2897 0.6947 0.033 Uiso calc R 1 . .
C C21 0.2918(2) 0.32624(17) 0.59664(18) 0.0300(4) Uani d . 1 . .
H H21 0.3635 0.3839 0.6530 0.036 Uiso calc R 1 . .
C C22 0.28583(19) 0.29816(16) 0.48958(17) 0.0256(4) Uani d . 1 . .
H H22 0.3539 0.3362 0.4733 0.031 Uiso calc R 1 . .
C C23 0.63295(17) 0.14058(15) 0.26504(17) 0.0205(4) Uani d . 1 . .
C C24 0.63245(19) 0.10873(16) 0.16108(17) 0.0242(4) Uani d . 1 . .
H H24 0.6049 0.1493 0.0974 0.029 Uiso calc R 1 . .
C C25 0.6716(2) 0.01883(17) 0.14949(19) 0.0304(4) Uani d . 1 . .
H H25 0.6705 -0.0020 0.0782 0.036 Uiso calc R 1 . .
C C26 0.7119(2) -0.04028(17) 0.2415(2) 0.0323(5) Uani d . 1 . .
H H26 0.7402 -0.1011 0.2342 0.039 Uiso calc R 1 . .
C C27 0.7112(2) -0.01134(18) 0.3444(2) 0.0337(5) Uani d . 1 . .
H H27 0.7370 -0.0534 0.4070 0.040 Uiso calc R 1 . .
C C28 0.67292(19) 0.07904(17) 0.35664(18) 0.0270(4) Uani d . 1 . .
H H28 0.6740 0.0991 0.4282 0.032 Uiso calc R 1 . .
C C29 0.71134(17) 0.33035(15) 0.42804(16) 0.0213(4) Uani d . 1 . .
C C30 0.84045(18) 0.34118(16) 0.45735(18) 0.0260(4) Uani d . 1 . .
H H30 0.8595 0.3091 0.4033 0.031 Uiso calc R 1 . .
C C31 0.9408(2) 0.39853(17) 0.56511(19) 0.0316(5) Uani d . 1 . .
H H31 1.0286 0.4063 0.5843 0.038 Uiso calc R 1 . .
C C32 0.9138(2) 0.44424(18) 0.6445(2) 0.0379(5) Uani d . 1 . .
H H32 0.9828 0.4835 0.7183 0.045 Uiso calc R 1 . .
C C33 0.7862(2) 0.4330(2) 0.6167(2) 0.0397(5) Uani d . 1 . .
H H33 0.7677 0.4645 0.6715 0.048 Uiso calc R 1 . .
C C34 0.6852(2) 0.37604(18) 0.50921(18) 0.0311(5) Uani d . 1 . .
H H34 0.5977 0.3682 0.4909 0.037 Uiso calc R 1 . .
C C35 0.59335(18) 0.33938(15) 0.17515(17) 0.0210(4) Uani d . 1 . .
C C36 0.5034(2) 0.29949(17) 0.05672(18) 0.0282(4) Uani d . 1 . .
H H36 0.4329 0.2344 0.0366 0.034 Uiso calc R 1 . .
C C37 0.5167(2) 0.3544(2) -0.0311(2) 0.0376(5) Uani d . 1 . .
H H37 0.4576 0.3251 -0.1114 0.045 Uiso calc R 1 . .
C C38 0.6157(3) 0.4516(2) -0.0027(2) 0.0406(6) Uani d . 1 . .
H H38 0.6243 0.4893 -0.0631 0.049 Uiso calc R 1 . .
C C39 0.7017(2) 0.49357(18) 0.1138(2) 0.0362(5) Uani d . 1 . .
H H39 0.7687 0.5611 0.1333 0.043 Uiso calc R 1 . .
C C40 0.6914(2) 0.43795(16) 0.20293(19) 0.0263(4) Uani d . 1 . .
H H40 0.7514 0.4674 0.2829 0.032 Uiso calc R 1 . .
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'
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'
Pd Pd -0.9988 1.0072 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C1 Pd P2 . . 86.86(5) ?
C1 Pd P1 . . 90.58(5) ?
P2 Pd P1 . . 176.743(17) ?
C1 Pd Br . . 176.56(5) ?
P2 Pd Br . . 89.758(13) ?
P1 Pd Br . . 92.815(13) ?
C5 P1 C17 . . 102.50(8) ?
C5 P1 C11 . . 103.18(8) ?
C17 P1 C11 . . 103.89(8) ?
C5 P1 Pd . . 117.16(6) ?
C17 P1 Pd . . 112.70(6) ?
C11 P1 Pd . . 115.70(6) ?
C35 P2 C29 . . 106.74(9) ?
C35 P2 C23 . . 103.18(8) ?
C29 P2 C23 . . 102.10(8) ?
C35 P2 Pd . . 110.52(6) ?
C29 P2 Pd . . 113.50(6) ?
C23 P2 Pd . . 119.58(6) ?
C1 N1 C2 . . 115.99(18) ?
C1 N2 C4 . . 116.48(17) ?
N1 C1 N2 . . 125.98(17) ?
N1 C1 Pd . . 116.27(13) ?
N2 C1 Pd . . 117.66(14) ?
N1 C2 C3 . . 122.9(2) ?
N1 C2 H2 . . 118.6 ?
C3 C2 H2 . . 118.6 ?
C2 C3 C4 . . 116.5(2) ?
C2 C3 H3 . . 121.7 ?
C4 C3 H3 . . 121.7 ?
N2 C4 C3 . . 122.2(2) ?
N2 C4 H4 . . 118.9 ?
C3 C4 H4 . . 118.9 ?
C10 C5 C6 . . 119.00(17) ?
C10 C5 P1 . . 122.17(14) ?
C6 C5 P1 . . 118.80(14) ?
C7 C6 C5 . . 120.63(19) ?
C7 C6 H6 . . 119.7 ?
C5 C6 H6 . . 119.7 ?
C8 C7 C6 . . 119.70(19) ?
C8 C7 H7 . . 120.2 ?
C6 C7 H7 . . 120.2 ?
C9 C8 C7 . . 120.28(19) ?
C9 C8 H8 . . 119.9 ?
C7 C8 H8 . . 119.9 ?
C8 C9 C10 . . 120.07(19) ?
C8 C9 H9 . . 120.0 ?
C10 C9 H9 . . 120.0 ?
C9 C10 C5 . . 120.32(18) ?
C9 C10 H10 . . 119.8 ?
C5 C10 H10 . . 119.8 ?
C16 C11 C12 . . 118.97(17) ?
C16 C11 P1 . . 119.85(14) ?
C12 C11 P1 . . 121.13(14) ?
C13 C12 C11 . . 120.14(18) ?
C13 C12 H12 . . 119.9 ?
C11 C12 H12 . . 119.9 ?
C12 C13 C14 . . 120.48(18) ?
C12 C13 H13 . . 119.8 ?
C14 C13 H13 . . 119.8 ?
C15 C14 C13 . . 119.52(18) ?
C15 C14 H14 . . 120.2 ?
C13 C14 H14 . . 120.2 ?
C14 C15 C16 . . 120.50(19) ?
C14 C15 H15 . . 119.8 ?
C16 C15 H15 . . 119.8 ?
C11 C16 C15 . . 120.38(18) ?
C11 C16 H16 . . 119.8 ?
C15 C16 H16 . . 119.8 ?
C22 C17 C18 . . 119.23(17) ?
C22 C17 P1 . . 119.88(14) ?
C18 C17 P1 . . 120.85(14) ?
C19 C18 C17 . . 120.29(18) ?
C19 C18 H18 . . 119.9 ?
C17 C18 H18 . . 119.9 ?
C20 C19 C18 . . 119.93(18) ?
C20 C19 H19 . . 120.0 ?
C18 C19 H19 . . 120.0 ?
C21 C20 C19 . . 120.22(18) ?
C21 C20 H20 . . 119.9 ?
C19 C20 H20 . . 119.9 ?
C20 C21 C22 . . 120.16(19) ?
C20 C21 H21 . . 119.9 ?
C22 C21 H21 . . 119.9 ?
C17 C22 C21 . . 120.16(18) ?
C17 C22 H22 . . 119.9 ?
C21 C22 H22 . . 119.9 ?
C28 C23 C24 . . 118.21(17) ?
C28 C23 P2 . . 118.41(14) ?
C24 C23 P2 . . 123.35(14) ?
C25 C24 C23 . . 120.97(18) ?
C25 C24 H24 . . 119.5 ?
C23 C24 H24 . . 119.5 ?
C26 C25 C24 . . 119.89(19) ?
C26 C25 H25 . . 120.1 ?
C24 C25 H25 . . 120.1 ?
C25 C26 C27 . . 120.13(19) ?
C25 C26 H26 . . 119.9 ?
C27 C26 H26 . . 119.9 ?
C26 C27 C28 . . 120.1(2) ?
C26 C27 H27 . . 119.9 ?
C28 C27 H27 . . 119.9 ?
C27 C28 C23 . . 120.64(19) ?
C27 C28 H28 . . 119.7 ?
C23 C28 H28 . . 119.7 ?
C34 C29 C30 . . 119.03(18) ?
C34 C29 P2 . . 120.58(15) ?
C30 C29 P2 . . 120.39(14) ?
C31 C30 C29 . . 120.22(19) ?
C31 C30 H30 . . 119.9 ?
C29 C30 H30 . . 119.9 ?
C32 C31 C30 . . 120.2(2) ?
C32 C31 H31 . . 119.9 ?
C30 C31 H31 . . 119.9 ?
C31 C32 C33 . . 120.0(2) ?
C31 C32 H32 . . 120.0 ?
C33 C32 H32 . . 120.0 ?
C32 C33 C34 . . 120.3(2) ?
C32 C33 H33 . . 119.9 ?
C34 C33 H33 . . 119.9 ?
C33 C34 C29 . . 120.29(19) ?
C33 C34 H34 . . 119.9 ?
C29 C34 H34 . . 119.9 ?
C40 C35 C36 . . 118.88(18) ?
C40 C35 P2 . . 123.01(15) ?
C36 C35 P2 . . 118.08(15) ?
C37 C36 C35 . . 120.3(2) ?
C37 C36 H36 . . 119.8 ?
C35 C36 H36 . . 119.8 ?
C38 C37 C36 . . 120.3(2) ?
C38 C37 H37 . . 119.9 ?
C36 C37 H37 . . 119.9 ?
C39 C38 C37 . . 119.7(2) ?
C39 C38 H38 . . 120.1 ?
C37 C38 H38 . . 120.1 ?
C38 C39 C40 . . 120.6(2) ?
C38 C39 H39 . . 119.7 ?
C40 C39 H39 . . 119.7 ?
C35 C40 C39 . . 120.1(2) ?
C35 C40 H40 . . 120.0 ?
C39 C40 H40 . . 120.0 ?
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
Pd C1 . 1.9985(18) ?
Pd P2 . 2.3232(5) ?
Pd P1 . 2.3393(5) ?
Pd Br . 2.5353(3) ?
P1 C5 . 1.8248(18) ?
P1 C17 . 1.8255(18) ?
P1 C11 . 1.8267(18) ?
P2 C35 . 1.8188(19) ?
P2 C29 . 1.8247(19) ?
P2 C23 . 1.8363(19) ?
N1 C1 . 1.330(2) ?
N1 C2 . 1.337(3) ?
N2 C1 . 1.332(2) ?
N2 C4 . 1.340(3) ?
C2 C3 . 1.373(3) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.373(3) ?
C3 H3 . 0.9500 ?
C4 H4 . 0.9500 ?
C5 C10 . 1.391(3) ?
C5 C6 . 1.394(3) ?
C6 C7 . 1.385(3) ?
C6 H6 . 0.9500 ?
C7 C8 . 1.384(3) ?
C7 H7 . 0.9500 ?
C8 C9 . 1.382(3) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.386(3) ?
C9 H9 . 0.9500 ?
C10 H10 . 0.9500 ?
C11 C16 . 1.389(3) ?
C11 C12 . 1.398(2) ?
C12 C13 . 1.386(3) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.386(3) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.379(3) ?
C14 H14 . 0.9500 ?
C15 C16 . 1.389(3) ?
C15 H15 . 0.9500 ?
C16 H16 . 0.9500 ?
C17 C22 . 1.389(3) ?
C17 C18 . 1.400(2) ?
C18 C19 . 1.385(3) ?
C18 H18 . 0.9500 ?
C19 C20 . 1.385(3) ?
C19 H19 . 0.9500 ?
C20 C21 . 1.381(3) ?
C20 H20 . 0.9500 ?
C21 C22 . 1.390(3) ?
C21 H21 . 0.9500 ?
C22 H22 . 0.9500 ?
C23 C28 . 1.393(3) ?
C23 C24 . 1.397(3) ?
C24 C25 . 1.386(3) ?
C24 H24 . 0.9500 ?
C25 C26 . 1.377(3) ?
C25 H25 . 0.9500 ?
C26 C27 . 1.380(3) ?
C26 H26 . 0.9500 ?
C27 C28 . 1.388(3) ?
C27 H27 . 0.9500 ?
C28 H28 . 0.9500 ?
C29 C34 . 1.390(3) ?
C29 C30 . 1.397(3) ?
C30 C31 . 1.387(3) ?
C30 H30 . 0.9500 ?
C31 C32 . 1.378(3) ?
C31 H31 . 0.9500 ?
C32 C33 . 1.383(3) ?
C32 H32 . 0.9500 ?
C33 C34 . 1.385(3) ?
C33 H33 . 0.9500 ?
C34 H34 . 0.9500 ?
C35 C40 . 1.389(3) ?
C35 C36 . 1.400(3) ?
C36 C37 . 1.384(3) ?
C36 H36 . 0.9500 ?
C37 C38 . 1.382(4) ?
C37 H37 . 0.9500 ?
C38 C39 . 1.378(4) ?
C38 H38 . 0.9500 ?
C39 C40 . 1.391(3) ?
C39 H39 . 0.9500 ?
C40 H40 . 0.9500 ?
