#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:50:30 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179866 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/62/7016224.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_7016224
loop_
_publ_author_name
'Polukeev, Alexey V.'
'Kuklin, Sergey A.'
'Petrovskii, Pavel V.'
'Peregudova, Svetlana M.'
'Smol'yakov, Alexander F.'
'Dolgushin, Fedor M.'
'Koridze, Avthandil A.'
_publ_section_title
;
 Synthesis and characterization of fluorophenylpalladium pincer
 complexes: electronic properties of some pincer ligands evaluated by
 multinuclear NMR spectroscopy and electrochemical studies.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7201
_journal_page_last               7209
_journal_paper_doi               10.1039/c1dt10446b
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C28 H43 F O2 P2 Pd'
_chemical_formula_sum            'C28 H43 F O2 P2 Pd'
_chemical_formula_weight         598.96
_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                93.176(1)
_cell_angle_beta                 99.251(1)
_cell_angle_gamma                109.389(1)
_cell_formula_units_Z            2
_cell_length_a                   8.3067(5)
_cell_length_b                   10.6772(6)
_cell_length_c                   17.3068(10)
_cell_measurement_reflns_used    3620
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.97
_cell_measurement_theta_min      2.40
_cell_volume                     1419.31(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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      100(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0520
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12211
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.20
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.796
_exptl_absorpt_correction_T_max  0.890
_exptl_absorpt_correction_T_min  0.775
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.653
_refine_diff_density_min         -0.524
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         6719
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0330
_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)+(0.0311P)²+0.0722P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0678
_refine_ls_wR_factor_ref         0.0718
_reflns_number_gt                5783
_reflns_number_total             6719
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10446b.txt
_cod_data_source_block           sad
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               7016224
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
Pd1 Pd 0.31886(2) 0.037810(17) 0.249511(11) 0.01019(6) Uani 1 1 d . . .
P1 P 0.31308(7) 0.17339(6) 0.35472(4) 0.01123(12) Uani 1 1 d . . .
P2 P 0.29112(8) -0.15479(6) 0.17567(4) 0.01382(13) Uani 1 1 d . . .
F1 F 0.68283(18) 0.49485(14) 0.05903(9) 0.0220(3) Uani 1 1 d . . .
O1 O 0.1781(2) 0.07303(15) 0.40470(10) 0.0146(3) Uani 1 1 d . . .
O2 O 0.1639(2) -0.27718(16) 0.21687(10) 0.0199(4) Uani 1 1 d . . .
C1 C 0.1739(3) -0.1001(2) 0.31025(14) 0.0139(5) Uani 1 1 d . . .
C2 C 0.1190(3) -0.0624(2) 0.37647(14) 0.0126(5) Uani 1 1 d . . .
C3 C 0.0079(3) -0.1522(2) 0.41547(15) 0.0159(5) Uani 1 1 d . . .
H3A H -0.0282 -0.1229 0.4604 0.019 Uiso 1 1 calc R . .
C4 C -0.0494(3) -0.2872(2) 0.38648(15) 0.0196(5) Uani 1 1 d . . .
H4A H -0.1252 -0.3509 0.4125 0.023 Uiso 1 1 calc R . .
C5 C 0.0017(3) -0.3308(2) 0.32063(15) 0.0192(5) Uani 1 1 d . . .
H5A H -0.0379 -0.4231 0.3014 0.023 Uiso 1 1 calc R . .
C6 C 0.1127(3) -0.2354(2) 0.28346(14) 0.0157(5) Uani 1 1 d . . .
C11 C 0.4445(3) 0.1829(2) 0.18319(14) 0.0130(5) Uani 1 1 d . . .
C12 C 0.6244(3) 0.2510(2) 0.19864(15) 0.0171(5) Uani 1 1 d . . .
H12A H 0.6943 0.2251 0.2392 0.021 Uiso 1 1 calc R . .
C13 C 0.7054(3) 0.3546(2) 0.15743(15) 0.0183(5) Uani 1 1 d . . .
H13A H 0.8279 0.3987 0.1695 0.022 Uiso 1 1 calc R . .
C14 C 0.6044(3) 0.3915(2) 0.09907(14) 0.0150(5) Uani 1 1 d . . .
C15 C 0.4277(3) 0.3290(2) 0.07925(14) 0.0158(5) Uani 1 1 d . . .
H15A H 0.3600 0.3551 0.0379 0.019 Uiso 1 1 calc R . .
C16 C 0.3508(3) 0.2257(2) 0.12204(14) 0.0153(5) Uani 1 1 d . . .
H16A H 0.2284 0.1820 0.1090 0.018 Uiso 1 1 calc R . .
C19 C 0.5167(3) 0.2354(2) 0.43081(15) 0.0169(5) Uani 1 1 d . . .
C20 C 0.6444(3) 0.3654(3) 0.41138(17) 0.0257(6) Uani 1 1 d . . .
H20A H 0.7589 0.3844 0.4446 0.039 Uiso 1 1 calc R . .
H20B H 0.6022 0.4391 0.4213 0.039 Uiso 1 1 calc R . .
H20C H 0.6536 0.3555 0.3558 0.039 Uiso 1 1 calc R . .
C21 C 0.4847(4) 0.2555(3) 0.51483(15) 0.0271(6) Uani 1 1 d . . .
H21A H 0.5948 0.2794 0.5525 0.041 Uiso 1 1 calc R . .
H21B H 0.4022 0.1725 0.5268 0.041 Uiso 1 1 calc R . .
H21C H 0.4367 0.3275 0.5188 0.041 Uiso 1 1 calc R . .
C22 C 0.5979(3) 0.1257(3) 0.42645(16) 0.0246(6) Uani 1 1 d . . .
H22A H 0.6978 0.1459 0.4698 0.037 Uiso 1 1 calc R . .
H22B H 0.6363 0.1220 0.3760 0.037 Uiso 1 1 calc R . .
H22C H 0.5112 0.0392 0.4308 0.037 Uiso 1 1 calc R . .
C23 C 0.2051(3) 0.2987(2) 0.33714(15) 0.0184(5) Uani 1 1 d . . .
C24 C 0.0359(3) 0.2200(3) 0.27892(19) 0.0313(7) Uani 1 1 d . . .
H24A H -0.0296 0.2794 0.2649 0.047 Uiso 1 1 calc R . .
H24B H -0.0343 0.1457 0.3035 0.047 Uiso 1 1 calc R . .
H24C H 0.0638 0.1849 0.2312 0.047 Uiso 1 1 calc R . .
C25 C 0.3117(4) 0.4137(2) 0.29688(16) 0.0230(6) Uani 1 1 d . . .
H25A H 0.2394 0.4652 0.2765 0.034 Uiso 1 1 calc R . .
H25B H 0.3511 0.3773 0.2532 0.034 Uiso 1 1 calc R . .
H25C H 0.4127 0.4721 0.3352 0.034 Uiso 1 1 calc R . .
C26 C 0.1612(4) 0.3541(3) 0.41117(18) 0.0343(7) Uani 1 1 d . . .
H26A H 0.0910 0.4099 0.3965 0.052 Uiso 1 1 calc R . .
H26B H 0.2689 0.4080 0.4472 0.052 Uiso 1 1 calc R . .
H26C H 0.0956 0.2798 0.4372 0.052 Uiso 1 1 calc R . .
C27 C 0.1627(3) -0.1905(2) 0.07376(15) 0.0182(5) Uani 1 1 d . . .
C28 C 0.2700(4) -0.1074(3) 0.01809(16) 0.0265(6) Uani 1 1 d . . .
H28A H 0.1942 -0.1129 -0.0325 0.040 Uiso 1 1 calc R . .
H28B H 0.3619 -0.1423 0.0097 0.040 Uiso 1 1 calc R . .
H28C H 0.3225 -0.0139 0.0416 0.040 Uiso 1 1 calc R . .
C29 C 0.0081(3) -0.1451(3) 0.08103(16) 0.0255(6) Uani 1 1 d . . .
H29A H -0.0646 -0.1562 0.0288 0.038 Uiso 1 1 calc R . .
H29B H 0.0511 -0.0508 0.1029 0.038 Uiso 1 1 calc R . .
H29C H -0.0610 -0.1994 0.1160 0.038 Uiso 1 1 calc R . .
C30 C 0.0927(3) -0.3388(2) 0.04124(17) 0.0240(6) Uani 1 1 d . . .
H30A H 0.0109 -0.3522 -0.0086 0.036 Uiso 1 1 calc R . .
H30B H 0.0329 -0.3918 0.0793 0.036 Uiso 1 1 calc R . .
H30C H 0.1894 -0.3673 0.0323 0.036 Uiso 1 1 calc R . .
C31 C 0.4931(3) -0.1967(2) 0.18690(16) 0.0204(5) Uani 1 1 d . . .
C32 C 0.4673(4) -0.3368(3) 0.14899(17) 0.0275(6) Uani 1 1 d . . .
H32A H 0.5715 -0.3591 0.1668 0.041 Uiso 1 1 calc R . .
H32B H 0.4470 -0.3388 0.0915 0.041 Uiso 1 1 calc R . .
H32D H 0.3668 -0.4021 0.1645 0.041 Uiso 1 1 calc R . .
C33 C 0.5530(4) -0.1899(3) 0.27582(17) 0.0332(7) Uani 1 1 d . . .
H33A H 0.6625 -0.2077 0.2861 0.050 Uiso 1 1 calc R . .
H33D H 0.4643 -0.2570 0.2972 0.050 Uiso 1 1 calc R . .
H33B H 0.5708 -0.1007 0.3011 0.050 Uiso 1 1 calc R . .
C34 C 0.6323(4) -0.0914(3) 0.1545(2) 0.0344(7) Uani 1 1 d . . .
H34D H 0.7457 -0.1001 0.1725 0.052 Uiso 1 1 calc R . .
H34A H 0.6362 -0.0020 0.1735 0.052 Uiso 1 1 calc R . .
H34B H 0.6043 -0.1043 0.0968 0.052 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'
O O 0.0106 0.0060 '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'
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 C11 174.23(9) . . ?
C1 Pd1 P1 79.79(7) . . ?
C11 Pd1 P1 99.14(7) . . ?
C1 Pd1 P2 79.64(7) . . ?
C11 Pd1 P2 101.90(7) . . ?
P1 Pd1 P2 158.63(2) . . ?
O1 P1 C23 99.76(10) . . ?
O1 P1 C19 100.61(10) . . ?
C23 P1 C19 113.87(11) . . ?
O1 P1 Pd1 104.86(6) . . ?
C23 P1 Pd1 118.65(9) . . ?
C19 P1 Pd1 115.29(8) . . ?
O2 P2 C27 99.70(10) . . ?
O2 P2 C31 101.32(10) . . ?
C27 P2 C31 114.64(12) . . ?
O2 P2 Pd1 105.23(6) . . ?
C27 P2 Pd1 118.37(8) . . ?
C31 P2 Pd1 114.17(8) . . ?
C2 O1 P1 115.10(15) . . ?
C6 O2 P2 114.84(14) . . ?
C2 C1 C6 116.9(2) . . ?
C2 C1 Pd1 121.43(16) . . ?
C6 C1 Pd1 121.43(18) . . ?
C3 C2 C1 123.3(2) . . ?
C3 C2 O1 118.5(2) . . ?
C1 C2 O1 118.2(2) . . ?
C2 C3 C4 117.6(2) . . ?
C2 C3 H3A 121.2 . . ?
C4 C3 H3A 121.2 . . ?
C5 C4 C3 121.6(2) . . ?
C5 C4 H4A 119.2 . . ?
C3 C4 H4A 119.2 . . ?
C4 C5 C6 118.1(2) . . ?
C4 C5 H5A 121.0 . . ?
C6 C5 H5A 121.0 . . ?
C1 C6 O2 118.6(2) . . ?
C1 C6 C5 122.5(2) . . ?
O2 C6 C5 118.9(2) . . ?
C16 C11 C12 115.1(2) . . ?
C16 C11 Pd1 121.18(16) . . ?
C12 C11 Pd1 123.64(17) . . ?
C13 C12 C11 123.1(2) . . ?
C13 C12 H12A 118.5 . . ?
C11 C12 H12A 118.5 . . ?
C14 C13 C12 118.3(2) . . ?
C14 C13 H13A 120.8 . . ?
C12 C13 H13A 120.8 . . ?
C13 C14 F1 118.7(2) . . ?
C13 C14 C15 122.5(2) . . ?
F1 C14 C15 118.8(2) . . ?
C14 C15 C16 117.6(2) . . ?
C14 C15 H15A 121.2 . . ?
C16 C15 H15A 121.2 . . ?
C15 C16 C11 123.5(2) . . ?
C15 C16 H16A 118.2 . . ?
C11 C16 H16A 118.2 . . ?
C20 C19 C21 109.8(2) . . ?
C20 C19 C22 108.6(2) . . ?
C21 C19 C22 108.7(2) . . ?
C20 C19 P1 111.23(17) . . ?
C21 C19 P1 113.38(18) . . ?
C22 C19 P1 104.96(16) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C26 C23 C25 110.0(2) . . ?
C26 C23 C24 109.4(2) . . ?
C25 C23 C24 108.1(2) . . ?
C26 C23 P1 113.89(18) . . ?
C25 C23 P1 111.62(17) . . ?
C24 C23 P1 103.47(17) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C30 C27 C28 110.1(2) . . ?
C30 C27 C29 108.6(2) . . ?
C28 C27 C29 109.8(2) . . ?
C30 C27 P2 113.95(19) . . ?
C28 C27 P2 110.38(17) . . ?
C29 C27 P2 103.80(17) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C34 C31 C33 108.8(2) . . ?
C34 C31 C32 110.3(2) . . ?
C33 C31 C32 108.3(2) . . ?
C34 C31 P2 109.84(17) . . ?
C33 C31 P2 105.16(18) . . ?
C32 C31 P2 114.19(19) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32D 109.5 . . ?
H32A C32 H32D 109.5 . . ?
H32B C32 H32D 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33D 109.5 . . ?
H33A C33 H33D 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33D C33 H33B 109.5 . . ?
C31 C34 H34D 109.5 . . ?
C31 C34 H34A 109.5 . . ?
H34D C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34D C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
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 2.031(2) . ?
Pd1 C11 2.078(2) . ?
Pd1 P1 2.2794(6) . ?
Pd1 P2 2.2835(6) . ?
P1 O1 1.6645(16) . ?
P1 C23 1.855(2) . ?
P1 C19 1.865(2) . ?
P2 O2 1.6616(17) . ?
P2 C27 1.856(3) . ?
P2 C31 1.859(3) . ?
F1 C14 1.369(3) . ?
O1 C2 1.394(3) . ?
O2 C6 1.391(3) . ?
C1 C2 1.387(3) . ?
C1 C6 1.387(3) . ?
C2 C3 1.382(3) . ?
C3 C4 1.395(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.387(4) . ?
C4 H4A 0.9500 . ?
C5 C6 1.393(3) . ?
C5 H5A 0.9500 . ?
C11 C16 1.399(3) . ?
C11 C12 1.400(3) . ?
C12 C13 1.391(3) . ?
C12 H12A 0.9500 . ?
C13 C14 1.368(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.371(3) . ?
C15 C16 1.396(3) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C19 C20 1.533(3) . ?
C19 C21 1.536(4) . ?
C19 C22 1.538(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C26 1.527(4) . ?
C23 C25 1.532(3) . ?
C23 C24 1.537(4) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C30 1.532(3) . ?
C27 C28 1.535(3) . ?
C27 C29 1.536(4) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C34 1.527(4) . ?
C31 C33 1.529(4) . ?
C31 C32 1.533(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32D 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33D 0.9800 . ?
C33 H33B 0.9800 . ?
C34 H34D 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
