#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:12:28 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179050 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/12/4301255.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_4301255
loop_
_publ_author_name
'Richard D. Adams'
'Michael B. Hall'
'William C. Pearl'
'Xinzheng Yang'
_publ_section_title
;
Transformations and Reactions of Re2(CO)8(μ-SbPh2)(μ-H) Induced by the
Addition of a Platinum(tri-t-butylphosphine) Group
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              652
_journal_page_last               662
_journal_paper_doi               10.1021/ic801876s
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C58 H78 O10 P2 Pt2 Re2 Sb2'
_chemical_formula_weight         2003.22
_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                108.363(4)
_cell_angle_beta                 94.711(4)
_cell_angle_gamma                109.011(4)
_cell_formula_units_Z            1
_cell_length_a                   9.327(2)
_cell_length_b                   12.241(3)
_cell_length_c                   16.612(4)
_cell_measurement_reflns_used    8853
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.36
_cell_volume                     1665.4(7)
_computing_cell_refinement       'SAINT+  V6.45 (Bruker, 2003)'
_computing_data_collection       'SMART V5.632 (Bruker, 2005)'
_computing_data_reduction        'SAINT+  V6.45'
_computing_molecular_graphics    'SHELXTL V6.1 (Sheldrick, 2000)'
_computing_publication_material  'SHELXTL V6.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.0415
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            22809
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.87
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    8.701
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.520
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.997
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Bar
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.854
_refine_diff_density_min         -1.443
_refine_diff_density_rms         0.175
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         8233
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0352
_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)+(0.0410P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                6997
_reflns_number_total             8233
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801876s_si_001_6.cif
_cod_data_source_block           transComp6
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1665.4(6)
_cod_database_code               4301255
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
Pt1 Pt 0.08547(2) 0.121250(18) 0.301360(13) 0.03803(7) Uani 1 1 d . . .
Re1 Re -0.18840(2) 0.067628(18) 0.508424(13) 0.03550(6) Uani 1 1 d . . .
Sb1 Sb -0.01865(4) -0.01913(3) 0.39019(2) 0.03325(8) Uani 1 1 d . . .
P1 P 0.20359(17) 0.29319(13) 0.26219(9) 0.0416(3) Uani 1 1 d . . .
O1 O -0.0937(10) -0.0896(6) 0.1332(4) 0.151(4) Uani 1 1 d . . .
O11 O -0.4019(6) -0.2094(4) 0.4613(3) 0.0711(13) Uani 1 1 d . . .
O12 O -0.3502(5) 0.1599(5) 0.6555(3) 0.0720(14) Uani 1 1 d . . .
O13 O 0.0764(6) 0.3265(4) 0.5584(3) 0.0695(13) Uani 1 1 d . . .
O14 O -0.3828(7) 0.1136(5) 0.3727(4) 0.0871(17) Uani 1 1 d . . .
H1 H 0.139(8) 0.210(6) 0.387(4) 0.08(2) Uiso 1 1 d . . .
C1 C -0.0248(10) -0.0090(7) 0.1951(4) 0.085(3) Uani 1 1 d . . .
C11 C -0.3257(6) -0.1082(6) 0.4780(4) 0.0459(13) Uani 1 1 d . . .
C12 C -0.2896(6) 0.1258(5) 0.6015(4) 0.0470(13) Uani 1 1 d . . .
C13 C -0.0230(7) 0.2320(5) 0.5394(4) 0.0461(13) Uani 1 1 d . . .
C14 C -0.3109(7) 0.0967(6) 0.4232(4) 0.0515(14) Uani 1 1 d . . .
C15 C -0.1670(6) -0.1899(5) 0.2878(4) 0.0414(12) Uani 1 1 d . . .
C16 C -0.3168(7) -0.2074(6) 0.2535(4) 0.0525(14) Uani 1 1 d . . .
H16 H -0.3611 -0.1516 0.2811 0.063 Uiso 1 1 calc R . .
C17 C -0.4015(8) -0.3075(6) 0.1783(5) 0.0660(19) Uani 1 1 d . . .
H17 H -0.5012 -0.3173 0.1553 0.079 Uiso 1 1 calc R . .
C18 C -0.3395(9) -0.3917(6) 0.1380(4) 0.071(2) Uani 1 1 d . . .
H18 H -0.3960 -0.4572 0.0869 0.085 Uiso 1 1 calc R . .
C19 C -0.1940(9) -0.3802(6) 0.1726(5) 0.0700(19) Uani 1 1 d . . .
H19 H -0.1531 -0.4391 0.1464 0.084 Uiso 1 1 calc R . .
C20 C -0.1088(7) -0.2792(6) 0.2473(4) 0.0576(16) Uani 1 1 d . . .
H20 H -0.0103 -0.2712 0.2707 0.069 Uiso 1 1 calc R . .
C21 C 0.1613(8) 0.2528(6) 0.1390(4) 0.0625(18) Uani 1 1 d . . .
C22 C -0.0104(11) 0.2184(9) 0.1083(6) 0.103(3) Uani 1 1 d . . .
H22A H -0.0369 0.1812 0.0462 0.154 Uiso 1 1 calc R . .
H22B H -0.0350 0.2916 0.1268 0.154 Uiso 1 1 calc R . .
H22C H -0.0683 0.1605 0.1326 0.154 Uiso 1 1 calc R . .
C23 C 0.2526(13) 0.3576(8) 0.1089(5) 0.112(4) Uani 1 1 d . . .
H23A H 0.2360 0.3270 0.0468 0.168 Uiso 1 1 calc R . .
H23B H 0.3611 0.3858 0.1329 0.168 Uiso 1 1 calc R . .
H23C H 0.2177 0.4253 0.1284 0.168 Uiso 1 1 calc R . .
C24 C 0.1954(10) 0.1373(7) 0.0926(4) 0.082(2) Uani 1 1 d . . .
H24A H 0.1445 0.0726 0.1131 0.122 Uiso 1 1 calc R . .
H24B H 0.3052 0.1569 0.1042 0.122 Uiso 1 1 calc R . .
H24C H 0.1579 0.1100 0.0313 0.122 Uiso 1 1 calc R . .
C25 C 0.1233(8) 0.4164(6) 0.3177(5) 0.0657(18) Uani 1 1 d . . .
C26 C -0.0501(10) 0.3496(9) 0.3117(8) 0.114(4) Uani 1 1 d . . .
H26A H -0.0935 0.4090 0.3400 0.172 Uiso 1 1 calc R . .
H26B H -0.0635 0.2901 0.3395 0.172 Uiso 1 1 calc R . .
H26C H -0.1018 0.3079 0.2519 0.172 Uiso 1 1 calc R . .
C27 C 0.1945(12) 0.4775(8) 0.4138(5) 0.094(3) Uani 1 1 d . . .
H27A H 0.3029 0.5245 0.4220 0.142 Uiso 1 1 calc R . .
H27B H 0.1816 0.4150 0.4388 0.142 Uiso 1 1 calc R . .
H27C H 0.1440 0.5318 0.4416 0.142 Uiso 1 1 calc R . .
C28 C 0.1458(13) 0.5185(8) 0.2809(7) 0.112(4) Uani 1 1 d . . .
H28A H 0.1132 0.5808 0.3166 0.168 Uiso 1 1 calc R . .
H28B H 0.0851 0.4840 0.2231 0.168 Uiso 1 1 calc R . .
H28C H 0.2533 0.5551 0.2798 0.168 Uiso 1 1 calc R . .
C29 C 0.4231(7) 0.3581(6) 0.3017(4) 0.0539(15) Uani 1 1 d . . .
C30 C 0.4948(10) 0.2741(9) 0.2444(6) 0.099(3) Uani 1 1 d . . .
H30A H 0.4947 0.2852 0.1898 0.148 Uiso 1 1 calc R . .
H30B H 0.4352 0.1891 0.2351 0.148 Uiso 1 1 calc R . .
H30C H 0.5994 0.2953 0.2726 0.148 Uiso 1 1 calc R . .
C31 C 0.5060(10) 0.4899(7) 0.3054(6) 0.094(3) Uani 1 1 d . . .
H31A H 0.4599 0.5434 0.3393 0.141 Uiso 1 1 calc R . .
H31B H 0.4969 0.4910 0.2477 0.141 Uiso 1 1 calc R . .
H31C H 0.6135 0.5182 0.3316 0.141 Uiso 1 1 calc R . .
C32 C 0.4652(9) 0.3549(8) 0.3911(5) 0.084(2) Uani 1 1 d . . .
H32A H 0.5756 0.3925 0.4111 0.127 Uiso 1 1 calc R . .
H32B H 0.4298 0.2704 0.3879 0.127 Uiso 1 1 calc R . .
H32C H 0.4166 0.3997 0.4307 0.127 Uiso 1 1 calc R . .
C1S C 0.659(2) 0.1141(17) 0.8461(9) 0.146(6) Uani 1 1 d . . .
H1S H 0.6642 0.0629 0.7924 0.175 Uiso 1 1 calc R . .
C2S C 0.7699(19) 0.233(2) 0.8852(11) 0.154(6) Uani 1 1 d . . .
H2S H 0.8498 0.2619 0.8582 0.185 Uiso 1 1 calc R . .
C3S C 0.7604(16) 0.3092(14) 0.9645(9) 0.131(4) Uani 1 1 d . . .
H3S H 0.8295 0.3910 0.9898 0.157 Uiso 1 1 calc R . .
C4S C 0.652(2) 0.2637(17) 1.0032(9) 0.138(5) Uani 1 1 d . . .
H4S H 0.6480 0.3123 1.0580 0.166 Uiso 1 1 calc R . .
C5S C 0.548(2) 0.1483(17) 0.9651(13) 0.164(7) Uani 1 1 d . . .
H5S H 0.4732 0.1174 0.9941 0.196 Uiso 1 1 calc R . .
C6S C 0.550(2) 0.0746(14) 0.8842(12) 0.158(6) Uani 1 1 d . . .
H6S H 0.4729 -0.0035 0.8569 0.190 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
C1 Pt1 P1 104.5(2) . . ?
C1 Pt1 Sb1 92.0(2) . . ?
P1 Pt1 Sb1 163.13(4) . . ?
C1 Pt1 H1 168(3) . . ?
P1 Pt1 H1 84(3) . . ?
Sb1 Pt1 H1 79(3) . . ?
C14 Re1 C12 94.6(2) . . ?
C14 Re1 C13 92.1(3) . . ?
C12 Re1 C13 93.3(2) . . ?
C14 Re1 C11 95.1(2) . . ?
C12 Re1 C11 92.7(2) . . ?
C13 Re1 C11 170.3(2) . . ?
C14 Re1 Sb1 170.20(18) . 2_556 ?
C12 Re1 Sb1 95.06(17) . 2_556 ?
C13 Re1 Sb1 85.65(17) . 2_556 ?
C11 Re1 Sb1 86.20(16) . 2_556 ?
C14 Re1 Sb1 92.55(18) . . ?
C12 Re1 Sb1 172.85(17) . . ?
C13 Re1 Sb1 85.94(16) . . ?
C11 Re1 Sb1 87.15(17) . . ?
Sb1 Re1 Sb1 77.80(2) 2_556 . ?
C15 Sb1 Pt1 100.97(14) . . ?
C15 Sb1 Re1 109.37(14) . 2_556 ?
Pt1 Sb1 Re1 119.763(18) . 2_556 ?
C15 Sb1 Re1 110.44(15) . . ?
Pt1 Sb1 Re1 114.132(18) . . ?
Re1 Sb1 Re1 102.20(2) 2_556 . ?
C29 P1 C25 109.1(3) . . ?
C29 P1 C21 108.0(3) . . ?
C25 P1 C21 109.8(3) . . ?
C29 P1 Pt1 110.7(2) . . ?
C25 P1 Pt1 106.7(2) . . ?
C21 P1 Pt1 112.4(2) . . ?
O1 C1 Pt1 177.4(7) . . ?
O11 C11 Re1 178.6(5) . . ?
O12 C12 Re1 179.3(5) . . ?
O13 C13 Re1 178.0(6) . . ?
O14 C14 Re1 179.6(6) . . ?
C16 C15 C20 117.7(5) . . ?
C16 C15 Sb1 121.2(4) . . ?
C20 C15 Sb1 120.6(4) . . ?
C15 C16 C17 120.6(6) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C18 C17 C16 120.5(6) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 120.4(6) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C18 C19 C20 119.1(7) . . ?
C18 C19 H19 120.5 . . ?
C20 C19 H19 120.5 . . ?
C15 C20 C19 121.7(6) . . ?
C15 C20 H20 119.2 . . ?
C19 C20 H20 119.2 . . ?
C22 C21 C24 105.9(7) . . ?
C22 C21 C23 108.9(7) . . ?
C24 C21 C23 108.3(7) . . ?
C22 C21 P1 108.7(5) . . ?
C24 C21 P1 110.3(5) . . ?
C23 C21 P1 114.5(5) . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C27 C25 C28 107.7(7) . . ?
C27 C25 C26 105.5(8) . . ?
C28 C25 C26 109.6(7) . . ?
C27 C25 P1 110.9(5) . . ?
C28 C25 P1 115.2(6) . . ?
C26 C25 P1 107.5(5) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C32 C29 C31 108.0(6) . . ?
C32 C29 C30 103.7(6) . . ?
C31 C29 C30 108.3(7) . . ?
C32 C29 P1 110.9(5) . . ?
C31 C29 P1 115.0(5) . . ?
C30 C29 P1 110.3(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 . . ?
C6S C1S C2S 119.9(16) . . ?
C6S C1S H1S 120.0 . . ?
C2S C1S H1S 120.0 . . ?
C3S C2S C1S 119.6(14) . . ?
C3S C2S H2S 120.2 . . ?
C1S C2S H2S 120.2 . . ?
C4S C3S C2S 118.6(16) . . ?
C4S C3S H3S 120.7 . . ?
C2S C3S H3S 120.7 . . ?
C3S C4S C5S 120.8(14) . . ?
C3S C4S H4S 119.6 . . ?
C5S C4S H4S 119.6 . . ?
C4S C5S C6S 121.2(14) . . ?
C4S C5S H5S 119.4 . . ?
C6S C5S H5S 119.4 . . ?
C1S C6S C5S 119.6(17) . . ?
C1S C6S H6S 120.2 . . ?
C5S C6S H6S 120.2 . . ?
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 C1 1.890(7) . ?
Pt1 P1 2.3531(14) . ?
Pt1 Sb1 2.6113(5) . ?
Pt1 H1 1.42(7) . ?
Re1 C14 1.937(6) . ?
Re1 C12 1.942(6) . ?
Re1 C13 1.972(6) . ?
Re1 C11 1.985(6) . ?
Re1 Sb1 2.7858(6) 2_556 ?
Re1 Sb1 2.7900(6) . ?
Sb1 C15 2.160(5) . ?
Sb1 Re1 2.7859(5) 2_556 ?
P1 C29 1.909(6) . ?
P1 C25 1.913(7) . ?
P1 C21 1.922(6) . ?
O1 C1 1.133(8) . ?
O11 C11 1.138(7) . ?
O12 C12 1.140(7) . ?
O13 C13 1.149(7) . ?
O14 C14 1.142(7) . ?
C15 C16 1.386(8) . ?
C15 C20 1.387(8) . ?
C16 C17 1.389(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.364(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.373(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.390(9) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.514(11) . ?
C21 C24 1.529(10) . ?
C21 C23 1.543(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 C27 1.516(11) . ?
C25 C28 1.520(10) . ?
C25 C26 1.535(11) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C32 1.521(10) . ?
C29 C31 1.523(9) . ?
C29 C30 1.532(10) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C1S C6S 1.28(2) . ?
C1S C2S 1.39(2) . ?
C1S H1S 0.9300 . ?
C2S C3S 1.381(18) . ?
C2S H2S 0.9300 . ?
C3S C4S 1.305(17) . ?
C3S H3S 0.9300 . ?
C4S C5S 1.334(19) . ?
C4S H4S 0.9300 . ?
C5S C6S 1.37(2) . ?
C5S H5S 0.9300 . ?
C6S H6S 0.9300 . ?
