#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/43/4304331.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_4304331
loop_
_publ_author_name
'Nail M. Shavaleev'
'E. Stephen Davies'
'Harry Adams'
'Jonathan Best'
'Julia A. Weinstein'
_publ_section_title
;
Platinum(II) Diimine Complexes with Catecholate Ligands Bearing Imide
Electron-Acceptor Groups: Synthesis, Crystal Structures,
(Spectro)Electrochemical and EPR studies, and Electronic Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1532
_journal_page_last               1547
_journal_paper_doi               10.1021/ic701821d
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C32 H32 N3 O4.5 Pt'
_chemical_formula_weight         725.70
_chemical_name_common
Pt(4,4'-di-tBu-2,2'-bipy)(1,2-catecholate-4-phthalimide)
_chemical_name_systematic
Pt(4,4'-di-tert-butyl-2,2'-bipyridine)(1,2-catecholate-4-phthalimide)
_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                 110.791(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.7373(15)
_cell_length_b                   16.6141(10)
_cell_length_c                   15.1213(8)
_cell_measurement_reflns_used    30112
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      52.740
_cell_measurement_theta_min      5.621
_cell_volume                     6044.8(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      150(2)
_diffrn_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0791
_diffrn_reflns_av_sigmaI/netI    0.0835
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29202
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.69
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.684
_exptl_absorpt_correction_T_max  0.6033
_exptl_absorpt_correction_T_min  0.4396
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2872
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.231
_refine_diff_density_min         -1.670
_refine_diff_density_rms         0.199
_refine_ls_extinction_coef       0.0016(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6981
_refine_ls_number_restraints     257
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.0648
_refine_ls_R_factor_gt           0.0429
_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)+(0.0451P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0918
_refine_ls_wR_factor_ref         0.0978
_reflns_number_gt                5145
_reflns_number_total             6981
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701821d_819.cif
_cod_data_source_block           ch1jw24
_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      'C 2/c'
_cod_original_formula_sum        C32H32N3O4.50Pt
_cod_database_code               4304331
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_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
Pt1 Pt 0.029716(8) 1.026232(14) 0.362921(13) 0.01312(8) Uani 1 1 d . . .
N1 N 0.26580(19) 0.9945(3) 0.3035(3) 0.0172(11) Uani 1 1 d . . .
N2 N -0.03135(17) 1.0819(3) 0.3908(3) 0.0150(10) Uani 1 1 d . . .
N3 N -0.01587(17) 0.9323(3) 0.3686(3) 0.0138(10) Uani 1 1 d . . .
O1 O 0.33153(17) 1.0177(3) 0.4526(3) 0.0281(11) Uani 1 1 d . . .
O2 O 0.22370(17) 0.9423(3) 0.1520(3) 0.0281(10) Uani 1 1 d . . .
O3 O 0.07789(15) 1.1199(2) 0.3562(2) 0.0174(9) Uani 1 1 d . . .
O4 O 0.08860(15) 0.9603(2) 0.3400(3) 0.0163(9) Uani 1 1 d . . .
C1 C 0.3192(2) 0.9919(4) 0.3732(4) 0.0193(10) Uani 1 1 d U . .
C2 C 0.3558(2) 0.9514(4) 0.3288(4) 0.0219(9) Uani 1 1 d U . .
C3 C 0.4113(2) 0.9333(4) 0.3630(4) 0.0263(10) Uani 1 1 d U . .
H3A H 0.4343 0.9500 0.4246 0.032 Uiso 1 1 calc R . .
C4 C 0.4334(3) 0.8900(4) 0.3057(4) 0.0277(10) Uani 1 1 d U . .
H4A H 0.4716 0.8756 0.3289 0.033 Uiso 1 1 calc R . .
C5 C 0.3998(2) 0.8680(4) 0.2150(4) 0.0274(10) Uani 1 1 d U . .
H5A H 0.4157 0.8390 0.1768 0.033 Uiso 1 1 calc R . .
C6 C 0.3438(2) 0.8869(4) 0.1785(4) 0.0253(10) Uani 1 1 d U . .
H6A H 0.3209 0.8722 0.1161 0.030 Uiso 1 1 calc R . .
C7 C 0.3231(2) 0.9285(4) 0.2383(4) 0.0206(8) Uani 1 1 d U . .
C8 C 0.2642(2) 0.9532(4) 0.2206(4) 0.0204(11) Uani 1 1 d U . .
C9 C 0.2175(2) 1.0283(4) 0.3163(4) 0.0163(9) Uani 1 1 d U . .
C10 C 0.1758(2) 0.9765(4) 0.3214(3) 0.0153(9) Uani 1 1 d U . .
H10A H 0.1792 0.9200 0.3154 0.018 Uiso 1 1 calc R . .
C11 C 0.1299(2) 1.0080(4) 0.3352(4) 0.0160(9) Uani 1 1 d U . .
C12 C 0.1245(2) 1.0924(4) 0.3434(4) 0.0158(9) Uani 1 1 d U . .
C13 C 0.1666(2) 1.1428(4) 0.3376(4) 0.0190(9) Uani 1 1 d U . .
H13A H 0.1635 1.1994 0.3429 0.023 Uiso 1 1 calc R . .
C14 C 0.2132(2) 1.1100(4) 0.3242(4) 0.0177(9) Uani 1 1 d U . .
H14A H 0.2418 1.1444 0.3205 0.021 Uiso 1 1 calc R . .
C15 C -0.0353(2) 1.1612(4) 0.4032(3) 0.0177(10) Uani 1 1 d U . .
H15A H -0.0063 1.1954 0.4005 0.021 Uiso 1 1 calc R . .
C16 C -0.0800(2) 1.1951(4) 0.4198(4) 0.0197(9) Uani 1 1 d U . .
H16A H -0.0816 1.2519 0.4261 0.024 Uiso 1 1 calc R . .
C17 C -0.1229(2) 1.1473(4) 0.4274(4) 0.0186(8) Uani 1 1 d U . .
C18 C -0.1172(2) 1.0650(4) 0.4168(3) 0.0150(8) Uani 1 1 d U . .
H18A H -0.1450 1.0295 0.4216 0.018 Uiso 1 1 calc R . .
C19 C -0.0725(2) 1.0341(4) 0.3997(4) 0.0151(9) Uani 1 1 d U . .
C20 C -0.1708(2) 1.1863(4) 0.4488(4) 0.0202(9) Uani 1 1 d U . .
C21 C -0.1481(2) 1.2159(4) 0.5518(4) 0.0235(12) Uani 1 1 d U . .
H21A H -0.1180 1.2545 0.5599 0.035 Uiso 1 1 calc R . .
H21B H -0.1339 1.1699 0.5942 0.035 Uiso 1 1 calc R . .
H21C H -0.1780 1.2421 0.5671 0.035 Uiso 1 1 calc R . .
C22 C -0.1931(2) 1.2583(4) 0.3828(4) 0.0258(12) Uani 1 1 d U . .
H22A H -0.1629 1.2967 0.3905 0.039 Uiso 1 1 calc R . .
H22B H -0.2227 1.2847 0.3987 0.039 Uiso 1 1 calc R . .
H22C H -0.2079 1.2396 0.3171 0.039 Uiso 1 1 calc R . .
C23 C -0.2180(2) 1.1264(4) 0.4375(4) 0.0255(12) Uani 1 1 d U . .
H23A H -0.2329 1.1072 0.3720 0.038 Uiso 1 1 calc R . .
H23B H -0.2476 1.1531 0.4532 0.038 Uiso 1 1 calc R . .
H23C H -0.2038 1.0807 0.4802 0.038 Uiso 1 1 calc R . .
C24 C -0.0633(2) 0.9477(4) 0.3885(4) 0.0152(9) Uani 1 1 d U . .
C25 C -0.0955(2) 0.8845(4) 0.3989(3) 0.0158(9) Uani 1 1 d U . .
H25A H -0.1274 0.8955 0.4146 0.019 Uiso 1 1 calc R . .
C26 C -0.0823(2) 0.8051(4) 0.3869(4) 0.0182(8) Uani 1 1 d U . .
C27 C -0.0349(2) 0.7931(4) 0.3624(4) 0.0178(9) Uani 1 1 d U . .
H27A H -0.0251 0.7402 0.3504 0.021 Uiso 1 1 calc R . .
C28 C -0.0030(2) 0.8567(4) 0.3557(4) 0.0189(11) Uani 1 1 d U . .
H28A H 0.0295 0.8468 0.3414 0.023 Uiso 1 1 calc R . .
C29 C -0.1163(2) 0.7336(4) 0.3992(4) 0.0222(9) Uani 1 1 d U . .
C30 C -0.1431(2) 0.6932(4) 0.3027(4) 0.0254(12) Uani 1 1 d U . .
H30A H -0.1688 0.7310 0.2588 0.038 Uiso 1 1 calc R . .
H30B H -0.1636 0.6453 0.3095 0.038 Uiso 1 1 calc R . .
H30C H -0.1141 0.6775 0.2781 0.038 Uiso 1 1 calc R . .
C31 C -0.0759(3) 0.6720(4) 0.4671(4) 0.0336(14) Uani 1 1 d U . .
H31A H -0.0580 0.6968 0.5294 0.050 Uiso 1 1 calc R . .
H31B H -0.0476 0.6559 0.4413 0.050 Uiso 1 1 calc R . .
H31C H -0.0969 0.6244 0.4735 0.050 Uiso 1 1 calc R . .
C32 C -0.1600(2) 0.7571(4) 0.4402(4) 0.0282(13) Uani 1 1 d U . .
H32A H -0.1856 0.7961 0.3983 0.042 Uiso 1 1 calc R . .
H32B H -0.1419 0.7813 0.5028 0.042 Uiso 1 1 calc R . .
H32C H -0.1807 0.7091 0.4461 0.042 Uiso 1 1 calc R . .
O1W O 0.5000 0.7371(4) 0.2500 0.0236(13) Uiso 1 2 d S . .
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'
O O 0.0106 0.0060 '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
N3 Pt1 N2 80.34(19) . . ?
N3 Pt1 O4 94.18(17) . . ?
N2 Pt1 O4 174.18(17) . . ?
N3 Pt1 O3 178.26(16) . . ?
N2 Pt1 O3 101.39(17) . . ?
O4 Pt1 O3 84.08(15) . . ?
N3 Pt1 Pt1 88.88(12) . 2 ?
N2 Pt1 Pt1 96.39(11) . 2 ?
O4 Pt1 Pt1 85.40(11) . 2 ?
O3 Pt1 Pt1 90.92(10) . 2 ?
C1 N1 C8 111.2(4) . . ?
C1 N1 C9 125.0(4) . . ?
C8 N1 C9 123.6(5) . . ?
C15 N2 C19 117.2(5) . . ?
C15 N2 Pt1 126.2(4) . . ?
C19 N2 Pt1 116.5(4) . . ?
C28 N3 C24 119.5(5) . . ?
C28 N3 Pt1 123.8(4) . . ?
C24 N3 Pt1 116.6(4) . . ?
C12 O3 Pt1 109.7(3) . . ?
C11 O4 Pt1 110.3(3) . . ?
O1 C1 N1 125.3(5) . . ?
O1 C1 C2 128.3(5) . . ?
N1 C1 C2 106.4(5) . . ?
C3 C2 C7 120.2(5) . . ?
C3 C2 C1 131.9(6) . . ?
C7 C2 C1 107.9(5) . . ?
C2 C3 C4 118.6(6) . . ?
C2 C3 H3A 120.7 . . ?
C4 C3 H3A 120.7 . . ?
C5 C4 C3 120.2(6) . . ?
C5 C4 H4A 119.9 . . ?
C3 C4 H4A 119.9 . . ?
C6 C5 C4 122.0(6) . . ?
C6 C5 H5A 119.0 . . ?
C4 C5 H5A 119.0 . . ?
C5 C6 C7 116.1(6) . . ?
C5 C6 H6A 121.9 . . ?
C7 C6 H6A 121.9 . . ?
C2 C7 C6 122.8(5) . . ?
C2 C7 C8 109.0(5) . . ?
C6 C7 C8 128.2(5) . . ?
O2 C8 N1 125.6(5) . . ?
O2 C8 C7 129.1(5) . . ?
N1 C8 C7 105.3(5) . . ?
C14 C9 C10 121.1(5) . . ?
C14 C9 N1 119.9(5) . . ?
C10 C9 N1 119.0(5) . . ?
C11 C10 C9 119.5(6) . . ?
C11 C10 H10A 120.3 . . ?
C9 C10 H10A 120.3 . . ?
O4 C11 C10 121.3(5) . . ?
O4 C11 C12 118.4(5) . . ?
C10 C11 C12 120.3(5) . . ?
O3 C12 C13 123.4(5) . . ?
O3 C12 C11 117.5(5) . . ?
C13 C12 C11 119.1(5) . . ?
C12 C13 C14 120.0(6) . . ?
C12 C13 H13A 120.0 . . ?
C14 C13 H13A 120.0 . . ?
C9 C14 C13 119.9(5) . . ?
C9 C14 H14A 120.0 . . ?
C13 C14 H14A 120.0 . . ?
N2 C15 C16 122.4(5) . . ?
N2 C15 H15A 118.8 . . ?
C16 C15 H15A 118.8 . . ?
C15 C16 C17 121.1(6) . . ?
C15 C16 H16A 119.4 . . ?
C17 C16 H16A 119.4 . . ?
C18 C17 C16 115.5(5) . . ?
C18 C17 C20 124.6(5) . . ?
C16 C17 C20 119.9(6) . . ?
C19 C18 C17 121.5(5) . . ?
C19 C18 H18A 119.3 . . ?
C17 C18 H18A 119.3 . . ?
C18 C19 N2 122.2(6) . . ?
C18 C19 C24 124.7(5) . . ?
N2 C19 C24 113.1(4) . . ?
C17 C20 C22 109.7(4) . . ?
C17 C20 C23 111.7(5) . . ?
C22 C20 C23 109.6(5) . . ?
C17 C20 C21 107.9(5) . . ?
C22 C20 C21 109.3(5) . . ?
C23 C20 C21 108.7(4) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N3 C24 C25 119.8(5) . . ?
N3 C24 C19 113.4(5) . . ?
C25 C24 C19 126.8(5) . . ?
C24 C25 C26 121.4(5) . . ?
C24 C25 H25A 119.3 . . ?
C26 C25 H25A 119.3 . . ?
C25 C26 C27 116.3(5) . . ?
C25 C26 C29 123.1(5) . . ?
C27 C26 C29 120.6(5) . . ?
C28 C27 C26 120.7(6) . . ?
C28 C27 H27A 119.7 . . ?
C26 C27 H27A 119.7 . . ?
N3 C28 C27 122.1(5) . . ?
N3 C28 H28A 118.9 . . ?
C27 C28 H28A 118.9 . . ?
C32 C29 C26 112.9(5) . . ?
C32 C29 C30 110.7(5) . . ?
C26 C29 C30 108.0(4) . . ?
C32 C29 C31 108.6(5) . . ?
C26 C29 C31 108.4(5) . . ?
C30 C29 C31 108.1(5) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 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
Pt1 N3 1.973(5) . ?
Pt1 N2 1.994(4) . ?
Pt1 O4 1.998(4) . ?
Pt1 O3 2.014(4) . ?
Pt1 Pt1 3.2084(4) 2 ?
N1 C1 1.404(7) . ?
N1 C8 1.418(7) . ?
N1 C9 1.437(7) . ?
N2 C15 1.340(7) . ?
N2 C19 1.369(7) . ?
N3 C28 1.330(7) . ?
N3 C24 1.380(6) . ?
O1 C1 1.207(7) . ?
O2 C8 1.195(7) . ?
O3 C12 1.361(6) . ?
O4 C11 1.348(7) . ?
C1 C2 1.498(8) . ?
C2 C3 1.367(8) . ?
C2 C7 1.381(8) . ?
C3 C4 1.393(8) . ?
C3 H3A 0.9500 . ?
C4 C5 1.385(9) . ?
C4 H4A 0.9500 . ?
C5 C6 1.383(8) . ?
C5 H5A 0.9500 . ?
C6 C7 1.387(7) . ?
C6 H6A 0.9500 . ?
C7 C8 1.498(8) . ?
C9 C14 1.372(8) . ?
C9 C10 1.399(7) . ?
C10 C11 1.376(7) . ?
C10 H10A 0.9500 . ?
C11 C12 1.418(8) . ?
C12 C13 1.394(8) . ?
C13 C14 1.397(7) . ?
C13 H13A 0.9500 . ?
C14 H14A 0.9500 . ?
C15 C16 1.380(7) . ?
C15 H15A 0.9500 . ?
C16 C17 1.398(8) . ?
C16 H16A 0.9500 . ?
C17 C18 1.391(8) . ?
C17 C20 1.525(7) . ?
C18 C19 1.366(7) . ?
C18 H18A 0.9500 . ?
C19 C24 1.474(8) . ?
C20 C22 1.533(8) . ?
C20 C23 1.534(8) . ?
C20 C21 1.537(7) . ?
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 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.382(8) . ?
C25 C26 1.389(8) . ?
C25 H25A 0.9500 . ?
C26 C27 1.410(7) . ?
C26 C29 1.526(8) . ?
C27 C28 1.364(8) . ?
C27 H27A 0.9500 . ?
C28 H28A 0.9500 . ?
C29 C32 1.515(7) . ?
C29 C30 1.530(8) . ?
C29 C31 1.557(9) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
