#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/60/2226094.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2226094
loop_
_publ_author_name
'Lian, Zhe'
'Xu, Guoqiang'
'Li, Xiaoyan'
_publ_section_title
;
 [2,6-Bis(diphenylphosphinooxy)phenyl]bis(trimethylphosphine)cobalt(I)
;
_journal_coeditor_code           DN2559
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m636
_journal_paper_doi               10.1107/S160053681001634X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co (C30 H23 O2 P2) (C3 H9 P)2]'
_chemical_formula_moiety         'C36 H41 Co O2 P4'
_chemical_formula_sum            'C36 H41 Co O2 P4'
_chemical_formula_weight         688.50
_chemical_melting_point          385
_chemical_name_systematic
;
[2,6-Bis(diphenylphosphinooxy)phenyl]bis(trimethylphosphine)cobalt(I)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 123.85(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.437(6)
_cell_length_b                   13.344(3)
_cell_length_c                   19.187(4)
_cell_measurement_reflns_used    25414
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.75
_cell_measurement_theta_min      1.56
_cell_volume                     6685(3)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics
'ORTEPIII (Burnett & Johnson, 1996) and ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0726
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            25414
_diffrn_reflns_theta_full        26.75
_diffrn_reflns_theta_max         26.75
_diffrn_reflns_theta_min         1.56
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.9300
_exptl_absorpt_correction_T_min  0.8667
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2880
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.554
_refine_diff_density_min         -0.630
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         7056
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0394
_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)+(0.0669P)²+0.8607P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1056
_reflns_number_gt                6078
_reflns_number_total             7056
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            dn2559.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2226094
_cod_database_fobs_code          2226094
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Co Co1 0.141627(10) 0.22511(2) 0.188845(16) 0.02454(9) Uani d . 1 . .
P P1 0.077347(19) 0.18917(4) 0.19360(3) 0.02587(12) Uani d . 1 . .
P P2 0.15209(2) 0.33637(4) 0.11980(3) 0.02792(12) Uani d . 1 . .
P P3 0.14305(2) 0.08689(4) 0.12942(3) 0.02800(12) Uani d . 1 . .
P P4 0.21421(2) 0.20712(4) 0.31383(3) 0.02911(13) Uani d . 1 . .
O O1 0.08196(6) 0.25832(11) 0.27072(9) 0.0306(3) Uani d . 1 . .
O O2 0.16718(6) 0.44366(11) 0.17485(10) 0.0344(3) Uani d . 1 . .
C C1 0.14760(8) 0.44092(17) 0.22435(13) 0.0327(4) Uani d . 1 . .
C C2 0.12987(8) 0.34853(16) 0.23120(13) 0.0294(4) Uani d . 1 . .
C C3 0.10554(8) 0.34857(16) 0.27383(12) 0.0298(4) Uani d . 1 . .
C C4 0.10342(9) 0.43159(18) 0.31533(13) 0.0354(5) Uani d . 1 . .
H H20 0.0882 0.4281 0.3452 0.043 Uiso calc R 1 . .
C C5 0.12496(9) 0.52060(18) 0.31050(14) 0.0388(5) Uani d . 1 . .
H H21 0.1251 0.5769 0.3392 0.047 Uiso calc R 1 . .
C C6 0.14621(9) 0.52681(17) 0.26361(14) 0.0379(5) Uani d . 1 . .
H H22 0.1592 0.5871 0.2587 0.046 Uiso calc R 1 . .
C C7 0.01157(8) 0.21993(15) 0.10672(13) 0.0288(4) Uani d . 1 . .
C C8 0.00137(8) 0.24372(17) 0.02814(13) 0.0321(4) Uani d . 1 . .
H H23 0.0280 0.2449 0.0203 0.038 Uiso calc R 1 . .
C C9 -0.04811(9) 0.26574(19) -0.03860(15) 0.0391(5) Uani d . 1 . .
H H24 -0.0546 0.2807 -0.0910 0.047 Uiso calc R 1 . .
C C10 -0.08780(9) 0.26546(19) -0.02715(15) 0.0396(5) Uani d . 1 . .
H H25 -0.1210 0.2798 -0.0719 0.047 Uiso calc R 1 . .
C C11 -0.07809(9) 0.24373(19) 0.05141(15) 0.0397(5) Uani d . 1 . .
H H26 -0.1047 0.2447 0.0594 0.048 Uiso calc R 1 . .
C C12 -0.02885(9) 0.22066(18) 0.11754(15) 0.0363(5) Uani d . 1 . .
H H27 -0.0226 0.2055 0.1698 0.044 Uiso calc R 1 . .
C C13 0.06603(8) 0.06823(16) 0.22481(13) 0.0291(4) Uani d . 1 . .
C C14 0.09125(8) 0.04158(18) 0.30946(14) 0.0347(5) Uani d . 1 . .
H H28 0.1094 0.0897 0.3510 0.042 Uiso calc R 1 . .
C C15 0.08926(9) -0.0563(2) 0.33157(15) 0.0436(6) Uani d . 1 . .
H H29 0.1058 -0.0733 0.3879 0.052 Uiso calc R 1 . .
C C16 0.06302(9) -0.1289(2) 0.27081(17) 0.0456(6) Uani d . 1 . .
H H30 0.0637 -0.1952 0.2863 0.055 Uiso calc R 1 . .
C C17 0.03576(9) -0.10278(19) 0.18683(16) 0.0425(5) Uani d . 1 . .
H H31 0.0168 -0.1508 0.1457 0.051 Uiso calc R 1 . .
C C18 0.03690(8) -0.00462(17) 0.16425(14) 0.0350(5) Uani d . 1 . .
H H32 0.0179 0.0130 0.1078 0.042 Uiso calc R 1 . .
C C19 0.09695(8) 0.38005(16) 0.01862(13) 0.0302(4) Uani d . 1 . .
C C20 0.07886(9) 0.32187(17) -0.05290(14) 0.0342(4) Uani d . 1 . .
H H33 0.0962 0.2636 -0.0494 0.041 Uiso calc R 1 . .
C C21 0.03544(9) 0.34968(19) -0.12919(14) 0.0399(5) Uani d . 1 . .
H H34 0.0239 0.3102 -0.1764 0.048 Uiso calc R 1 . .
C C22 0.00919(10) 0.4362(2) -0.13533(15) 0.0439(5) Uani d . 1 . .
H H35 -0.0199 0.4550 -0.1866 0.053 Uiso calc R 1 . .
C C23 0.02665(11) 0.4943(2) -0.06468(16) 0.0471(6) Uani d . 1 . .
H H36 0.0092 0.5524 -0.0685 0.056 Uiso calc R 1 . .
C C24 0.06998(10) 0.46637(18) 0.01180(15) 0.0404(5) Uani d . 1 . .
H H37 0.0812 0.5057 0.0590 0.049 Uiso calc R 1 . .
C C25 0.20242(8) 0.34292(16) 0.09881(13) 0.0321(4) Uani d . 1 . .
C C26 0.19699(9) 0.39827(19) 0.03261(15) 0.0390(5) Uani d . 1 . .
H H38 0.1668 0.4331 -0.0035 0.047 Uiso calc R 1 . .
C C27 0.23669(10) 0.4015(2) 0.02033(16) 0.0468(6) Uani d . 1 . .
H H39 0.2326 0.4378 -0.0244 0.056 Uiso calc R 1 . .
C C28 0.28171(10) 0.3517(2) 0.07380(16) 0.0477(6) Uani d . 1 . .
H H40 0.3078 0.3536 0.0647 0.057 Uiso calc R 1 . .
C C29 0.28847(10) 0.2984(2) 0.14149(17) 0.0451(6) Uani d . 1 . .
H H41 0.3193 0.2662 0.1788 0.054 Uiso calc R 1 . .
C C30 0.24838(9) 0.29392(18) 0.15257(15) 0.0374(5) Uani d . 1 . .
H H19 0.2525 0.2571 0.1971 0.045 Uiso calc R 1 . .
C C31 0.15587(9) -0.03061(17) 0.18758(15) 0.0372(5) Uani d . 1 . .
H H31A 0.1339 -0.0351 0.2075 0.056 Uiso calc R 1 . .
H H31B 0.1910 -0.0319 0.2344 0.056 Uiso calc R 1 . .
H H31C 0.1494 -0.0863 0.1512 0.056 Uiso calc R 1 . .
C C32 0.08378(9) 0.05274(18) 0.02973(14) 0.0365(5) Uani d . 1 . .
H H32A 0.0886 -0.0096 0.0101 0.055 Uiso calc R 1 . .
H H32B 0.0752 0.1042 -0.0111 0.055 Uiso calc R 1 . .
H H32C 0.0565 0.0458 0.0380 0.055 Uiso calc R 1 . .
C C33 0.18824(9) 0.07295(18) 0.09792(16) 0.0384(5) Uani d . 1 . .
H H33A 0.2227 0.0741 0.1469 0.058 Uiso calc R 1 . .
H H33B 0.1836 0.1271 0.0614 0.058 Uiso calc R 1 . .
H H33C 0.1821 0.0104 0.0690 0.058 Uiso calc R 1 . .
C C34 0.20915(9) 0.1656(2) 0.40012(14) 0.0405(5) Uani d . 1 . .
H H34A 0.1973 0.0975 0.3906 0.061 Uiso calc R 1 . .
H H34B 0.1854 0.2078 0.4028 0.061 Uiso calc R 1 . .
H H34C 0.2422 0.1697 0.4521 0.061 Uiso calc R 1 . .
C C35 0.26675(9) 0.1240(2) 0.33529(15) 0.0441(5) Uani d . 1 . .
H H35A 0.2945 0.1299 0.3932 0.066 Uiso calc R 1 . .
H H35B 0.2784 0.1426 0.3003 0.066 Uiso calc R 1 . .
H H35C 0.2548 0.0560 0.3236 0.066 Uiso calc R 1 . .
C C36 0.25124(9) 0.32175(19) 0.36162(15) 0.0429(5) Uani d . 1 . .
H H36A 0.2819 0.3061 0.4150 0.064 Uiso calc R 1 . .
H H36B 0.2311 0.3688 0.3693 0.064 Uiso calc R 1 . .
H H36C 0.2602 0.3505 0.3256 0.064 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'
O O 0.0106 0.0060 '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'
Co Co 0.3494 0.9721 '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
C2 Co1 P1 . . 76.63(6) ?
C2 Co1 P2 . . 78.62(6) ?
P1 Co1 P2 . . 131.45(3) ?
C2 Co1 P3 . . 171.95(6) ?
P1 Co1 P3 . . 97.37(3) ?
P2 Co1 P3 . . 102.04(3) ?
C2 Co1 P4 . . 87.75(6) ?
P1 Co1 P4 . . 111.03(3) ?
P2 Co1 P4 . . 108.97(3) ?
P3 Co1 P4 . . 99.52(3) ?
O1 P1 C13 . . 97.69(8) ?
O1 P1 C7 . . 100.23(9) ?
C13 P1 C7 . . 99.71(9) ?
O1 P1 Co1 . . 107.20(6) ?
C13 P1 Co1 . . 125.25(7) ?
C7 P1 Co1 . . 121.73(7) ?
O2 P2 C19 . . 99.43(9) ?
O2 P2 C25 . . 96.95(9) ?
C19 P2 C25 . . 100.04(10) ?
O2 P2 Co1 . . 106.81(6) ?
C19 P2 Co1 . . 119.78(7) ?
C25 P2 Co1 . . 128.16(8) ?
C31 P3 C32 . . 99.98(11) ?
C31 P3 C33 . . 99.52(11) ?
C32 P3 C33 . . 98.87(11) ?
C31 P3 Co1 . . 117.78(8) ?
C32 P3 Co1 . . 116.75(8) ?
C33 P3 Co1 . . 120.15(8) ?
C36 P4 C34 . . 98.70(11) ?
C36 P4 C35 . . 98.68(13) ?
C34 P4 C35 . . 97.73(12) ?
C36 P4 Co1 . . 115.83(9) ?
C34 P4 Co1 . . 117.01(8) ?
C35 P4 Co1 . . 124.27(8) ?
C3 O1 P1 . . 107.12(12) ?
C1 O2 P2 . . 109.21(13) ?
C6 C1 O2 . . 120.65(19) ?
C6 C1 C2 . . 123.14(19) ?
O2 C1 C2 . . 116.21(18) ?
C1 C2 C3 . . 115.76(18) ?
C1 C2 Co1 . . 121.87(15) ?
C3 C2 Co1 . . 122.29(16) ?
C4 C3 C2 . . 123.6(2) ?
C4 C3 O1 . . 121.24(18) ?
C2 C3 O1 . . 115.15(17) ?
C3 C4 C5 . . 117.47(19) ?
C3 C4 H20 . . 121.3 ?
C5 C4 H20 . . 121.3 ?
C6 C5 C4 . . 121.3(2) ?
C6 C5 H21 . . 119.3 ?
C4 C5 H21 . . 119.3 ?
C1 C6 C5 . . 118.3(2) ?
C1 C6 H22 . . 120.8 ?
C5 C6 H22 . . 120.8 ?
C8 C7 C12 . . 118.6(2) ?
C8 C7 P1 . . 119.80(16) ?
C12 C7 P1 . . 121.56(16) ?
C9 C8 C7 . . 120.7(2) ?
C9 C8 H23 . . 119.6 ?
C7 C8 H23 . . 119.6 ?
C10 C9 C8 . . 120.0(2) ?
C10 C9 H24 . . 120.0 ?
C8 C9 H24 . . 120.0 ?
C9 C10 C11 . . 120.0(2) ?
C9 C10 H25 . . 120.0 ?
C11 C10 H25 . . 120.0 ?
C12 C11 C10 . . 119.9(2) ?
C12 C11 H26 . . 120.1 ?
C10 C11 H26 . . 120.1 ?
C11 C12 C7 . . 120.7(2) ?
C11 C12 H27 . . 119.6 ?
C7 C12 H27 . . 119.6 ?
C18 C13 C14 . . 118.3(2) ?
C18 C13 P1 . . 120.03(16) ?
C14 C13 P1 . . 121.19(17) ?
C15 C14 C13 . . 120.1(2) ?
C15 C14 H28 . . 119.9 ?
C13 C14 H28 . . 119.9 ?
C16 C15 C14 . . 120.7(2) ?
C16 C15 H29 . . 119.6 ?
C14 C15 H29 . . 119.6 ?
C15 C16 C17 . . 119.8(2) ?
C15 C16 H30 . . 120.1 ?
C17 C16 H30 . . 120.1 ?
C16 C17 C18 . . 119.7(2) ?
C16 C17 H31 . . 120.2 ?
C18 C17 H31 . . 120.2 ?
C17 C18 C13 . . 121.1(2) ?
C17 C18 H32 . . 119.4 ?
C13 C18 H32 . . 119.4 ?
C20 C19 C24 . . 118.4(2) ?
C20 C19 P2 . . 119.48(16) ?
C24 C19 P2 . . 121.96(17) ?
C21 C20 C19 . . 120.9(2) ?
C21 C20 H33 . . 119.6 ?
C19 C20 H33 . . 119.6 ?
C22 C21 C20 . . 120.2(2) ?
C22 C21 H34 . . 119.9 ?
C20 C21 H34 . . 119.9 ?
C23 C22 C21 . . 119.4(2) ?
C23 C22 H35 . . 120.3 ?
C21 C22 H35 . . 120.3 ?
C22 C23 C24 . . 120.5(2) ?
C22 C23 H36 . . 119.8 ?
C24 C23 H36 . . 119.8 ?
C23 C24 C19 . . 120.6(2) ?
C23 C24 H37 . . 119.7 ?
C19 C24 H37 . . 119.7 ?
C30 C25 C26 . . 118.4(2) ?
C30 C25 P2 . . 118.83(16) ?
C26 C25 P2 . . 122.72(18) ?
C27 C26 C25 . . 120.2(2) ?
C27 C26 H38 . . 119.9 ?
C25 C26 H38 . . 119.9 ?
C28 C27 C26 . . 120.4(2) ?
C28 C27 H39 . . 119.8 ?
C26 C27 H39 . . 119.8 ?
C27 C28 C29 . . 120.3(2) ?
C27 C28 H40 . . 119.9 ?
C29 C28 H40 . . 119.9 ?
C28 C29 C30 . . 119.0(3) ?
C28 C29 H41 . . 120.5 ?
C30 C29 H41 . . 120.5 ?
C25 C30 C29 . . 121.6(2) ?
C25 C30 H19 . . 119.2 ?
C29 C30 H19 . . 119.2 ?
P3 C31 H31A . . 109.5 ?
P3 C31 H31B . . 109.5 ?
H31A C31 H31B . . 109.5 ?
P3 C31 H31C . . 109.5 ?
H31A C31 H31C . . 109.5 ?
H31B C31 H31C . . 109.5 ?
P3 C32 H32A . . 109.5 ?
P3 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
P3 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
P3 C33 H33A . . 109.5 ?
P3 C33 H33B . . 109.5 ?
H33A C33 H33B . . 109.5 ?
P3 C33 H33C . . 109.5 ?
H33A C33 H33C . . 109.5 ?
H33B C33 H33C . . 109.5 ?
P4 C34 H34A . . 109.5 ?
P4 C34 H34B . . 109.5 ?
H34A C34 H34B . . 109.5 ?
P4 C34 H34C . . 109.5 ?
H34A C34 H34C . . 109.5 ?
H34B C34 H34C . . 109.5 ?
P4 C35 H35A . . 109.5 ?
P4 C35 H35B . . 109.5 ?
H35A C35 H35B . . 109.5 ?
P4 C35 H35C . . 109.5 ?
H35A C35 H35C . . 109.5 ?
H35B C35 H35C . . 109.5 ?
P4 C36 H36A . . 109.5 ?
P4 C36 H36B . . 109.5 ?
H36A C36 H36B . . 109.5 ?
P4 C36 H36C . . 109.5 ?
H36A C36 H36C . . 109.5 ?
H36B C36 H36C . . 109.5 ?
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
Co1 C2 . 1.961(2) ?
Co1 P1 . 2.1278(7) ?
Co1 P2 . 2.1337(6) ?
Co1 P3 . 2.1819(7) ?
Co1 P4 . 2.2180(13) ?
P1 O1 . 1.6801(15) ?
P1 C13 . 1.824(2) ?
P1 C7 . 1.839(2) ?
P2 O2 . 1.6829(15) ?
P2 C19 . 1.834(2) ?
P2 C25 . 1.839(2) ?
P3 C31 . 1.834(2) ?
P3 C32 . 1.835(2) ?
P3 C33 . 1.837(2) ?
P4 C36 . 1.829(2) ?
P4 C34 . 1.835(2) ?
P4 C35 . 1.836(2) ?
O1 C3 . 1.398(3) ?
O2 C1 . 1.390(2) ?
C1 C6 . 1.386(3) ?
C1 C2 . 1.389(3) ?
C2 C3 . 1.397(3) ?
C3 C4 . 1.387(3) ?
C4 C5 . 1.396(3) ?
C4 H20 . 0.9300 ?
C5 C6 . 1.390(3) ?
C5 H21 . 0.9300 ?
C6 H22 . 0.9300 ?
C7 C8 . 1.392(3) ?
C7 C12 . 1.397(3) ?
C8 C9 . 1.388(3) ?
C8 H23 . 0.9300 ?
C9 C10 . 1.382(3) ?
C9 H24 . 0.9300 ?
C10 C11 . 1.392(3) ?
C10 H25 . 0.9300 ?
C11 C12 . 1.383(3) ?
C11 H26 . 0.9300 ?
C12 H27 . 0.9300 ?
C13 C18 . 1.396(3) ?
C13 C14 . 1.400(3) ?
C14 C15 . 1.386(3) ?
C14 H28 . 0.9300 ?
C15 C16 . 1.381(4) ?
C15 H29 . 0.9300 ?
C16 C17 . 1.384(4) ?
C16 H30 . 0.9300 ?
C17 C18 . 1.386(3) ?
C17 H31 . 0.9300 ?
C18 H32 . 0.9300 ?
C19 C20 . 1.393(3) ?
C19 C24 . 1.392(3) ?
C20 C21 . 1.385(3) ?
C20 H33 . 0.9300 ?
C21 C22 . 1.385(3) ?
C21 H34 . 0.9300 ?
C22 C23 . 1.382(4) ?
C22 H35 . 0.9300 ?
C23 C24 . 1.386(4) ?
C23 H36 . 0.9300 ?
C24 H37 . 0.9300 ?
C25 C30 . 1.385(3) ?
C25 C26 . 1.395(3) ?
C26 C27 . 1.394(3) ?
C26 H38 . 0.9300 ?
C27 C28 . 1.371(4) ?
C27 H39 . 0.9300 ?
C28 C29 . 1.389(4) ?
C28 H40 . 0.9300 ?
C29 C30 . 1.391(3) ?
C29 H41 . 0.9300 ?
C30 H19 . 0.9300 ?
C31 H31A . 0.9600 ?
C31 H31B . 0.9600 ?
C31 H31C . 0.9600 ?
C32 H32A . 0.9600 ?
C32 H32B . 0.9600 ?
C32 H32C . 0.9600 ?
C33 H33A . 0.9600 ?
C33 H33B . 0.9600 ?
C33 H33C . 0.9600 ?
C34 H34A . 0.9600 ?
C34 H34B . 0.9600 ?
C34 H34C . 0.9600 ?
C35 H35A . 0.9600 ?
C35 H35B . 0.9600 ?
C35 H35C . 0.9600 ?
C36 H36A . 0.9600 ?
C36 H36B . 0.9600 ?
C36 H36C . 0.9600 ?
