#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:11:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179743 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/39/7003922.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_7003922
loop_
_publ_author_name
'Ye, Jiansheng'
'Chen, Wanzhi'
'Wang, Daqi'
_publ_section_title
;
 Synthesis, structural characterization, and catalytic behaviour in
 Heck coupling of palladium(ii) complexes containing
 pyrimidine-functionalized N-heterocyclic carbenes
;
_journal_issue                   30
_journal_name_full               'Dalton Transactions'
_journal_page_first              4015
_journal_page_last               4022
_journal_paper_doi               10.1039/b801264d
_journal_year                    2008
_chemical_formula_sum            'C24 H31 F12 N9 P2 Pd'
_chemical_formula_weight         841.94
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 101.008(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4669(10)
_cell_length_b                   24.487(2)
_cell_length_c                   14.7736(16)
_cell_measurement_temperature    298(2)
_cell_volume                     3361.7(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0432
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16800
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.746
_exptl_absorpt_correction_T_max  0.9158
_exptl_absorpt_correction_T_min  0.7855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.664
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.989
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         5928
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0615
_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)+(0.0760P)²+9.6850P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1547
_refine_ls_wR_factor_ref         0.1787
_reflns_number_gt                4257
_reflns_number_total             5928
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b801264d.txt
_cod_data_source_block           071115b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' 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_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7003922
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
Pd1 Pd 0.34278(6) 0.18194(2) 0.78748(3) 0.0482(2) Uani 1 1 d . . .
N1 N 0.2804(6) 0.1408(2) 0.8961(3) 0.0469(12) Uani 1 1 d . . .
N2 N 0.4991(6) 0.1016(2) 0.8987(4) 0.0553(14) Uani 1 1 d . . .
N3 N 0.6393(7) 0.1216(2) 0.8061(4) 0.0625(16) Uani 1 1 d . . .
N4 N 0.2144(7) 0.1327(3) 0.6242(4) 0.0687(17) Uani 1 1 d . . .
N5 N 0.2540(9) 0.1478(3) 0.4722(4) 0.082(2) Uani 1 1 d . . .
N6 N 0.3573(6) 0.2037(3) 0.5918(4) 0.0584(15) Uani 1 1 d . . .
N7 N 0.4849(7) 0.2622(3) 0.6777(4) 0.0643(16) Uani 1 1 d . . .
N8 N 0.1745(7) 0.2361(2) 0.7704(4) 0.0573(15) Uani 1 1 d . . .
N9 N 0.3631(8) 0.0704(2) 1.0043(4) 0.0676(17) Uani 1 1 d . . .
C1 C 0.5129(7) 0.1338(3) 0.8242(5) 0.0515(16) Uani 1 1 d . . .
C2 C 0.7085(9) 0.0823(3) 0.8675(6) 0.078(2) Uani 1 1 d . . .
H7 H 0.7993 0.0675 0.8683 0.094 Uiso 1 1 calc R . .
C3 C 0.6206(9) 0.0699(3) 0.9244(6) 0.072(2) Uani 1 1 d . . .
H8 H 0.6375 0.0448 0.9724 0.086 Uiso 1 1 calc R . .
C4 C 0.3758(8) 0.1034(3) 0.9361(4) 0.0510(16) Uani 1 1 d . . .
C5 C 0.2396(11) 0.0751(3) 1.0339(5) 0.074(2) Uani 1 1 d . . .
H3 H 0.2241 0.0522 1.0813 0.089 Uiso 1 1 calc R . .
C6 C 0.1345(10) 0.1114(3) 0.9992(5) 0.069(2) Uani 1 1 d . . .
H4 H 0.0499 0.1137 1.0222 0.083 Uiso 1 1 calc R . .
C7 C 0.1586(9) 0.1445(3) 0.9285(5) 0.0606(18) Uani 1 1 d . . .
H5 H 0.0891 0.1699 0.9030 0.073 Uiso 1 1 calc R . .
C8 C 0.7039(10) 0.1438(4) 0.7324(7) 0.090(3) Uani 1 1 d D . .
H8A H 0.6369 0.1703 0.6993 0.108 Uiso 1 1 calc R . .
H8B H 0.7893 0.1639 0.7609 0.108 Uiso 1 1 calc R . .
C12 C 0.4038(7) 0.2183(3) 0.6810(4) 0.0489(15) Uani 1 1 d . . .
C13 C 0.4910(10) 0.2748(4) 0.5867(6) 0.077(2) Uani 1 1 d . . .
H19 H 0.5424 0.3034 0.5669 0.092 Uiso 1 1 calc R . .
C14 C 0.4117(10) 0.2394(4) 0.5344(6) 0.077(2) Uani 1 1 d . . .
H20 H 0.3947 0.2382 0.4703 0.092 Uiso 1 1 calc R . .
C15 C 0.2675(8) 0.1577(3) 0.5608(5) 0.0585(18) Uani 1 1 d . . .
C16 C 0.1302(11) 0.0899(4) 0.5936(7) 0.093(3) Uani 1 1 d . . .
H17 H 0.0897 0.0696 0.6354 0.112 Uiso 1 1 calc R . .
C17 C 0.1024(13) 0.0752(4) 0.5024(8) 0.106(3) Uani 1 1 d . . .
H16 H 0.0410 0.0464 0.4810 0.127 Uiso 1 1 calc R . .
C18 C 0.1676(13) 0.1043(5) 0.4457(7) 0.103(3) Uani 1 1 d . . .
H15 H 0.1528 0.0940 0.3841 0.123 Uiso 1 1 calc R . .
C23 C 0.0905(8) 0.2690(3) 0.7620(5) 0.0585(18) Uani 1 1 d . . .
C24 C -0.0116(11) 0.3137(4) 0.7503(6) 0.086(3) Uani 1 1 d . . .
H26A H -0.0066 0.3323 0.8080 0.130 Uiso 1 1 calc R . .
H26B H -0.1070 0.2996 0.7298 0.130 Uiso 1 1 calc R . .
H26C H 0.0111 0.3387 0.7052 0.130 Uiso 1 1 calc R . .
C25 C 0.744(2) 0.1081(7) 0.6657(11) 0.226(12) Uani 1 1 d D . .
H25A H 0.7996 0.0780 0.6974 0.271 Uiso 1 1 calc R . .
H25B H 0.8065 0.1278 0.6317 0.271 Uiso 1 1 calc R . .
C26 C 0.620(3) 0.0857(10) 0.5993(18) 0.275(15) Uani 1 1 d D . .
H26D H 0.5615 0.1155 0.5699 0.329 Uiso 1 1 calc R . .
H26E H 0.5615 0.0637 0.6324 0.329 Uiso 1 1 calc R . .
C27 C 0.671(2) 0.0503(9) 0.5249(13) 0.243(11) Uani 1 1 d D . .
H27A H 0.7488 0.0682 0.5041 0.364 Uiso 1 1 calc R . .
H27B H 0.5922 0.0454 0.4738 0.364 Uiso 1 1 calc R . .
H27C H 0.7020 0.0153 0.5505 0.364 Uiso 1 1 calc R . .
C28 C 0.5642(12) 0.2912(4) 0.7585(7) 0.099(3) Uani 1 1 d D . .
H28A H 0.5188 0.2830 0.8104 0.119 Uiso 1 1 calc R . .
H28B H 0.6609 0.2764 0.7725 0.119 Uiso 1 1 calc R . .
C29 C 0.576(3) 0.3506(6) 0.7518(15) 0.272(15) Uani 1 1 d D . .
H29A H 0.5949 0.3602 0.6916 0.327 Uiso 1 1 calc R . .
H29B H 0.6556 0.3634 0.7980 0.327 Uiso 1 1 calc R . .
C31 C 0.442(3) 0.3782(8) 0.7653(16) 0.244(12) Uani 1 1 d D . .
H31A H 0.4173 0.3663 0.8231 0.292 Uiso 1 1 calc R . .
H31B H 0.3631 0.3683 0.7157 0.292 Uiso 1 1 calc R . .
C32 C 0.463(2) 0.4418(6) 0.7668(12) 0.197(8) Uani 1 1 d D . .
H32A H 0.5216 0.4525 0.8246 0.295 Uiso 1 1 calc R . .
H32B H 0.3715 0.4596 0.7592 0.295 Uiso 1 1 calc R . .
H32C H 0.5105 0.4523 0.7173 0.295 Uiso 1 1 calc R . .
P1 P 0.8622(3) 0.24910(11) 0.99407(17) 0.0800(7) Uani 1 1 d . . .
F1 F 0.8322(8) 0.2674(3) 1.0904(4) 0.129(2) Uani 1 1 d . . .
F2 F 0.8859(7) 0.2289(3) 0.8959(4) 0.115(2) Uani 1 1 d . . .
F3 F 0.8444(11) 0.1893(3) 1.0219(5) 0.156(3) Uani 1 1 d . . .
F4 F 1.0238(7) 0.2424(4) 1.0325(6) 0.179(4) Uani 1 1 d . . .
F5 F 0.8753(15) 0.3079(3) 0.9618(8) 0.220(6) Uani 1 1 d . . .
F6 F 0.6994(8) 0.2530(5) 0.9550(5) 0.207(5) Uani 1 1 d . . .
P2 P 0.9212(3) 0.02149(10) 0.19449(16) 0.0765(6) Uani 1 1 d . . .
F7 F 0.9914(13) -0.0333(4) 0.2014(9) 0.229(5) Uani 1 1 d . . .
F8 F 0.8429(11) 0.0753(3) 0.1764(10) 0.229(5) Uani 1 1 d . . .
F9 F 0.7824(10) -0.0117(4) 0.1831(7) 0.190(4) Uani 1 1 d . . .
F10 F 0.9222(12) 0.0286(5) 0.2951(5) 0.218(5) Uani 1 1 d . . .
F11 F 1.0613(8) 0.0564(4) 0.2051(5) 0.162(3) Uani 1 1 d . . .
F12 F 0.9241(13) 0.0157(4) 0.0905(5) 0.213(5) Uani 1 1 d . . .
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'
F F 0.0171 0.0103 '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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pd1 C12 98.0(3) . . ?
C1 Pd1 N8 171.0(3) . . ?
C12 Pd1 N8 87.1(2) . . ?
C1 Pd1 N1 80.6(3) . . ?
C12 Pd1 N1 177.6(2) . . ?
N8 Pd1 N1 94.6(2) . . ?
C1 Pd1 N4 100.3(2) . . ?
C12 Pd1 N4 69.5(2) . . ?
N8 Pd1 N4 88.5(2) . . ?
N1 Pd1 N4 108.7(2) . . ?
C7 N1 C4 116.3(6) . . ?
C7 N1 Pd1 129.7(5) . . ?
C4 N1 Pd1 113.9(5) . . ?
C1 N2 C3 109.9(6) . . ?
C1 N2 C4 121.1(6) . . ?
C3 N2 C4 129.0(6) . . ?
C1 N3 C2 110.9(7) . . ?
C1 N3 C8 126.9(6) . . ?
C2 N3 C8 122.2(7) . . ?
C15 N4 C16 114.4(7) . . ?
C15 N4 Pd1 104.9(5) . . ?
C16 N4 Pd1 140.3(6) . . ?
C15 N5 C18 111.9(8) . . ?
C12 N6 C14 109.9(7) . . ?
C12 N6 C15 125.5(6) . . ?
C14 N6 C15 124.6(7) . . ?
C12 N7 C13 110.3(7) . . ?
C12 N7 C28 124.9(7) . . ?
C13 N7 C28 124.7(7) . . ?
C23 N8 Pd1 174.4(6) . . ?
C4 N9 C5 114.5(7) . . ?
N3 C1 N2 105.3(6) . . ?
N3 C1 Pd1 143.5(5) . . ?
N2 C1 Pd1 111.2(5) . . ?
C3 C2 N3 107.2(7) . . ?
C3 C2 H7 126.4 . . ?
N3 C2 H7 126.4 . . ?
C2 C3 N2 106.8(7) . . ?
C2 C3 H8 126.6 . . ?
N2 C3 H8 126.6 . . ?
N9 C4 N1 127.2(7) . . ?
N9 C4 N2 119.6(6) . . ?
N1 C4 N2 113.2(6) . . ?
N9 C5 C6 123.9(7) . . ?
N9 C5 H3 118.0 . . ?
C6 C5 H3 118.0 . . ?
C5 C6 C7 117.2(8) . . ?
C5 C6 H4 121.4 . . ?
C7 C6 H4 121.4 . . ?
N1 C7 C6 120.8(7) . . ?
N1 C7 H5 119.6 . . ?
C6 C7 H5 119.6 . . ?
C25 C8 N3 119.7(11) . . ?
C25 C8 H8A 107.4 . . ?
N3 C8 H8A 107.4 . . ?
C25 C8 H8B 107.4 . . ?
N3 C8 H8B 107.4 . . ?
H8A C8 H8B 106.9 . . ?
N7 C12 N6 105.1(6) . . ?
N7 C12 Pd1 130.5(5) . . ?
N6 C12 Pd1 124.2(5) . . ?
C14 C13 N7 107.4(7) . . ?
C14 C13 H19 126.3 . . ?
N7 C13 H19 126.3 . . ?
C13 C14 N6 107.3(7) . . ?
C13 C14 H20 126.3 . . ?
N6 C14 H20 126.3 . . ?
N4 C15 N5 130.9(8) . . ?
N4 C15 N6 115.4(6) . . ?
N5 C15 N6 113.7(7) . . ?
N4 C16 C17 121.7(9) . . ?
N4 C16 H17 119.1 . . ?
C17 C16 H17 119.1 . . ?
C18 C17 C16 116.8(10) . . ?
C18 C17 H16 121.6 . . ?
C16 C17 H16 121.6 . . ?
C17 C18 N5 124.3(9) . . ?
C17 C18 H15 117.8 . . ?
N5 C18 H15 117.8 . . ?
N8 C23 C24 176.8(9) . . ?
C23 C24 H26A 109.5 . . ?
C23 C24 H26B 109.5 . . ?
H26A C24 H26B 109.5 . . ?
C23 C24 H26C 109.5 . . ?
H26A C24 H26C 109.5 . . ?
H26B C24 H26C 109.5 . . ?
C8 C25 C26 113.6(16) . . ?
C8 C25 H25A 108.9 . . ?
C26 C25 H25A 108.9 . . ?
C8 C25 H25B 108.9 . . ?
C26 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
C25 C26 C27 111.4(18) . . ?
C25 C26 H26D 109.4 . . ?
C27 C26 H26D 109.4 . . ?
C25 C26 H26E 109.4 . . ?
C27 C26 H26E 109.4 . . ?
H26D C26 H26E 108.0 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 N7 117.3(11) . . ?
C29 C28 H28A 108.0 . . ?
N7 C28 H28A 108.0 . . ?
C29 C28 H28B 108.0 . . ?
N7 C28 H28B 108.0 . . ?
H28A C28 H28B 107.2 . . ?
C28 C29 C31 111.6(18) . . ?
C28 C29 H29A 109.3 . . ?
C31 C29 H29A 109.3 . . ?
C28 C29 H29B 109.3 . . ?
C31 C29 H29B 109.3 . . ?
H29A C29 H29B 108.0 . . ?
C29 C31 C32 109.9(16) . . ?
C29 C31 H31A 109.7 . . ?
C32 C31 H31A 109.7 . . ?
C29 C31 H31B 109.7 . . ?
C32 C31 H31B 109.7 . . ?
H31A C31 H31B 108.2 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
F5 P1 F4 94.7(7) . . ?
F5 P1 F3 177.2(6) . . ?
F4 P1 F3 87.3(6) . . ?
F5 P1 F6 87.7(7) . . ?
F4 P1 F6 177.4(6) . . ?
F3 P1 F6 90.4(6) . . ?
F5 P1 F1 93.1(5) . . ?
F4 P1 F1 92.0(4) . . ?
F3 P1 F1 88.9(4) . . ?
F6 P1 F1 88.9(4) . . ?
F5 P1 F2 88.5(5) . . ?
F4 P1 F2 90.0(4) . . ?
F3 P1 F2 89.4(4) . . ?
F6 P1 F2 89.0(4) . . ?
F1 P1 F2 177.3(4) . . ?
F7 P2 F10 96.8(7) . . ?
F7 P2 F8 173.6(7) . . ?
F10 P2 F8 89.0(7) . . ?
F7 P2 F9 83.8(6) . . ?
F10 P2 F9 90.8(5) . . ?
F8 P2 F9 93.5(6) . . ?
F7 P2 F12 83.9(7) . . ?
F10 P2 F12 178.0(5) . . ?
F8 P2 F12 90.3(7) . . ?
F9 P2 F12 91.1(5) . . ?
F7 P2 F11 97.3(6) . . ?
F10 P2 F11 89.6(4) . . ?
F8 P2 F11 85.4(5) . . ?
F9 P2 F11 178.8(6) . . ?
F12 P2 F11 88.5(5) . . ?
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 C1 1.987(7) . ?
Pd1 C12 1.987(7) . ?
Pd1 N8 2.051(6) . ?
Pd1 N1 2.074(5) . ?
Pd1 N4 2.762(6) . ?
N1 C7 1.333(9) . ?
N1 C4 1.343(8) . ?
N2 C1 1.379(8) . ?
N2 C3 1.379(9) . ?
N2 C4 1.384(9) . ?
N3 C1 1.309(9) . ?
N3 C2 1.398(9) . ?
N3 C8 1.453(10) . ?
N4 C15 1.299(9) . ?
N4 C16 1.343(11) . ?
N5 C15 1.313(9) . ?
N5 C18 1.354(13) . ?
N6 C12 1.356(8) . ?
N6 C14 1.382(9) . ?
N6 C15 1.432(10) . ?
N7 C12 1.328(9) . ?
N7 C13 1.391(10) . ?
N7 C28 1.466(11) . ?
N8 C23 1.122(8) . ?
N9 C4 1.314(8) . ?
N9 C5 1.330(11) . ?
C2 C3 1.326(11) . ?
C2 H7 0.9300 . ?
C3 H8 0.9300 . ?
C5 C6 1.359(11) . ?
C5 H3 0.9300 . ?
C6 C7 1.375(10) . ?
C6 H4 0.9300 . ?
C7 H5 0.9300 . ?
C8 C25 1.424(14) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C13 C14 1.302(12) . ?
C13 H19 0.9300 . ?
C14 H20 0.9300 . ?
C16 C17 1.370(13) . ?
C16 H17 0.9300 . ?
C17 C18 1.338(15) . ?
C17 H16 0.9300 . ?
C18 H15 0.9300 . ?
C23 C24 1.447(11) . ?
C24 H26A 0.9600 . ?
C24 H26B 0.9600 . ?
C24 H26C 0.9600 . ?
C25 C26 1.485(17) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C26 C27 1.545(16) . ?
C26 H26D 0.9700 . ?
C26 H26E 0.9700 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 C29 1.464(14) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C31 1.482(17) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C31 C32 1.572(16) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
P1 F5 1.530(8) . ?
P1 F4 1.536(7) . ?
P1 F3 1.539(7) . ?
P1 F6 1.542(7) . ?
P1 F1 1.568(6) . ?
P1 F2 1.588(6) . ?
P2 F7 1.492(9) . ?
P2 F10 1.495(7) . ?
P2 F8 1.512(9) . ?
P2 F9 1.527(7) . ?
P2 F12 1.548(8) . ?
P2 F11 1.560(7) . ?
