#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:32:58 +0100 (vie 25 de mar de 2016) $
#$Revision: 179850 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/46/7014664.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_7014664
loop_
_publ_author_name
'Dai, Feng-Rong'
'Wu, Wen-Jun'
'Wang, Qi-Wei'
'Tian, He'
'Wong, Wai-Yeung'
_publ_section_title
;
 Heteroleptic ruthenium complexes containing uncommon
 5,5'-disubstituted-2,2'-bipyridine chromophores for dye-sensitized
 solar cells.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2314
_journal_page_last               2323
_journal_paper_doi               10.1039/c0dt01043j
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C34 H44 N2 S2'
_chemical_formula_sum            'C34 H44 N2 S2'
_chemical_formula_weight         544.83
_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                107.1120(10)
_cell_angle_beta                 92.4750(10)
_cell_angle_gamma                91.9740(10)
_cell_formula_units_Z            2
_cell_length_a                   5.5379(4)
_cell_length_b                   14.5782(11)
_cell_length_c                   19.5515(14)
_cell_measurement_reflns_used    9521
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      2.97
_cell_volume                     1505.32(19)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Smart CCD'
_diffrn_measurement_method       'ω and φ 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  0.0185
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            9521
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    0.202
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7881
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.576
_refine_diff_density_min         -0.781
_refine_diff_density_rms         0.092
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6869
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0495
_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)+(0.0984P)²+0.5587P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1431
_refine_ls_wR_factor_ref         0.1539
_reflns_number_gt                5758
_reflns_number_total             6869
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01043J.TXT
_cod_data_source_block           L1
_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 1555 2011-01-17 13:19:09Z saulius 
;
_cod_database_code               7014664
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
C1 C 0.0224(3) 0.97813(11) 0.46151(8) 0.0254(3) Uani 1 1 d . . .
C2 C 0.2138(3) 0.92090(12) 0.44513(8) 0.0258(3) Uani 1 1 d . . .
H2A H 0.3139 0.9101 0.4811 0.031 Uiso 1 1 calc R . .
C3 C 0.2549(3) 0.88000(13) 0.37516(9) 0.0334(4) Uani 1 1 d . . .
H3A H 0.3839 0.8401 0.3638 0.040 Uiso 1 1 calc R . .
C4 C 0.1103(3) 0.89544(11) 0.31916(8) 0.0257(3) Uani 1 1 d . . .
C5 C -0.0831(3) 0.95474(13) 0.33893(9) 0.0309(4) Uani 1 1 d . . .
H5A H -0.1835 0.9667 0.3035 0.037 Uiso 1 1 calc R . .
C6 C 0.1633(3) 0.85113(11) 0.24368(8) 0.0245(3) Uani 1 1 d . . .
C7 C 0.0349(3) 0.85222(12) 0.18214(9) 0.0276(3) Uani 1 1 d . . .
H7A H -0.1093 0.8832 0.1826 0.033 Uiso 1 1 calc R . .
C8 C 0.1421(3) 0.80180(12) 0.11765(9) 0.0275(3) Uani 1 1 d . . .
C9 C 0.3525(3) 0.76324(13) 0.13219(9) 0.0300(4) Uani 1 1 d . . .
H9A H 0.4481 0.7274 0.0970 0.036 Uiso 1 1 calc R . .
C10 C 0.0321(3) 0.79202(14) 0.04379(9) 0.0336(4) Uani 1 1 d . . .
H10A H -0.0078 0.8553 0.0413 0.040 Uiso 1 1 calc R . .
H10B H -0.1178 0.7531 0.0368 0.040 Uiso 1 1 calc R . .
C11 C 0.1942(3) 0.74699(13) -0.01724(9) 0.0319(4) Uani 1 1 d . . .
H11A H 0.3477 0.7837 -0.0090 0.038 Uiso 1 1 calc R . .
H11B H 0.2265 0.6823 -0.0166 0.038 Uiso 1 1 calc R . .
C12 C 0.0857(3) 0.74281(14) -0.09102(9) 0.0329(4) Uani 1 1 d . . .
H12A H 0.0698 0.8077 -0.0937 0.039 Uiso 1 1 calc R . .
H12B H -0.0750 0.7118 -0.0976 0.039 Uiso 1 1 calc R . .
C13 C 0.2398(3) 0.68811(13) -0.15117(9) 0.0319(4) Uani 1 1 d . . .
H13A H 0.2518 0.6229 -0.1487 0.038 Uiso 1 1 calc R . .
H13B H 0.4018 0.7181 -0.1432 0.038 Uiso 1 1 calc R . .
C14 C 0.1434(3) 0.68415(13) -0.22641(9) 0.0313(4) Uani 1 1 d . . .
H14A H -0.0224 0.6581 -0.2336 0.038 Uiso 1 1 calc R . .
H14B H 0.1426 0.7490 -0.2303 0.038 Uiso 1 1 calc R . .
C15 C 0.2924(3) 0.62311(12) -0.28534(9) 0.0293(3) Uani 1 1 d . . .
H15A H 0.4594 0.6478 -0.2769 0.035 Uiso 1 1 calc R . .
H15B H 0.2883 0.5578 -0.2824 0.035 Uiso 1 1 calc R . .
C16 C 0.2043(4) 0.62119(13) -0.36074(9) 0.0341(4) Uani 1 1 d . . .
H16A H 0.0357 0.5985 -0.3688 0.041 Uiso 1 1 calc R . .
H16B H 0.2144 0.6861 -0.3645 0.041 Uiso 1 1 calc R . .
C17 C 0.3504(4) 0.55691(15) -0.41862(10) 0.0404(4) Uani 1 1 d . . .
H17A H 0.2880 0.5581 -0.4649 0.061 Uiso 1 1 calc R . .
H17B H 0.3384 0.4923 -0.4158 0.061 Uiso 1 1 calc R . .
H17C H 0.5169 0.5798 -0.4116 0.061 Uiso 1 1 calc R . .
C18 C 1.2184(3) 0.51657(13) 0.15047(9) 0.0324(4) Uani 1 1 d . . .
H18A H 1.3471 0.4992 0.1754 0.039 Uiso 1 1 calc R . .
C19 C 1.0364(3) 0.57055(11) 0.18793(8) 0.0254(3) Uani 1 1 d . . .
C20 C 0.8493(3) 0.59302(13) 0.14602(9) 0.0306(4) Uani 1 1 d . . .
H20A H 0.7263 0.6291 0.1698 0.037 Uiso 1 1 calc R . .
C21 C 0.8338(3) 0.56665(11) 0.07461(8) 0.0229(3) Uani 1 1 d . . .
H21A H 0.7045 0.5836 0.0497 0.028 Uiso 1 1 calc R . .
C22 C 1.0124(3) 0.51446(12) 0.03958(8) 0.0269(3) Uani 1 1 d . . .
C23 C 1.0331(3) 0.60219(12) 0.26640(8) 0.0254(3) Uani 1 1 d . . .
C24 C 0.8739(3) 0.65993(12) 0.30864(9) 0.0275(3) Uani 1 1 d . . .
H24A H 0.7464 0.6868 0.2901 0.033 Uiso 1 1 calc R . .
C25 C 0.9205(3) 0.67529(12) 0.38362(9) 0.0262(3) Uani 1 1 d . . .
C26 C 1.1175(3) 0.62785(14) 0.39648(9) 0.0323(4) Uani 1 1 d . . .
H26A H 1.1759 0.6290 0.4421 0.039 Uiso 1 1 calc R . .
C27 C 0.7666(3) 0.73595(12) 0.43922(9) 0.0287(3) Uani 1 1 d . . .
H27A H 0.6011 0.7097 0.4293 0.034 Uiso 1 1 calc R . .
H27B H 0.7686 0.8001 0.4340 0.034 Uiso 1 1 calc R . .
C28 C 0.8402(3) 0.74430(13) 0.51681(9) 0.0300(4) Uani 1 1 d . . .
H28A H 1.0029 0.7733 0.5281 0.036 Uiso 1 1 calc R . .
H28B H 0.8420 0.6805 0.5226 0.036 Uiso 1 1 calc R . .
C29 C 0.6694(3) 0.80440(13) 0.56913(9) 0.0301(4) Uani 1 1 d . . .
H29A H 0.6670 0.8679 0.5628 0.036 Uiso 1 1 calc R . .
H29B H 0.5070 0.7751 0.5575 0.036 Uiso 1 1 calc R . .
C30 C 0.7372(3) 0.81490(12) 0.64742(9) 0.0295(3) Uani 1 1 d . . .
H30A H 0.9028 0.8408 0.6585 0.035 Uiso 1 1 calc R . .
H30B H 0.7296 0.7518 0.6546 0.035 Uiso 1 1 calc R . .
C31 C 0.5727(3) 0.88016(13) 0.69899(9) 0.0298(3) Uani 1 1 d . . .
H31A H 0.5794 0.9429 0.6913 0.036 Uiso 1 1 calc R . .
H31B H 0.4074 0.8540 0.6878 0.036 Uiso 1 1 calc R . .
C32 C 0.6373(4) 0.89243(13) 0.77767(9) 0.0332(4) Uani 1 1 d . . .
H32A H 0.6268 0.8300 0.7859 0.040 Uiso 1 1 calc R . .
H32B H 0.8035 0.9176 0.7889 0.040 Uiso 1 1 calc R . .
C33 C 0.4738(4) 0.95937(14) 0.82788(10) 0.0397(4) Uani 1 1 d . . .
H33A H 0.4870 1.0221 0.8202 0.048 Uiso 1 1 calc R . .
H33B H 0.3074 0.9349 0.8158 0.048 Uiso 1 1 calc R . .
C34 C 0.5326(6) 0.97077(19) 0.90659(12) 0.0623(7) Uani 1 1 d . . .
H34A H 0.4227 1.0135 0.9352 0.094 Uiso 1 1 calc R . .
H34B H 0.6955 0.9968 0.9194 0.094 Uiso 1 1 calc R . .
H34C H 0.5168 0.9092 0.9149 0.094 Uiso 1 1 calc R . .
N1 N -0.1282(3) 0.99579(12) 0.40953(8) 0.0357(3) Uani 1 1 d . . .
N2 N 1.2076(3) 0.48891(13) 0.07641(9) 0.0419(4) Uani 1 1 d . . .
S1 S 0.42092(8) 0.78802(3) 0.22219(2) 0.03018(13) Uani 1 1 d . . .
S2 S 1.24581(8) 0.56558(4) 0.31866(2) 0.03515(14) 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C2 C1 N1 122.17(14) . . ?
C2 C1 C1 117.96(19) . 2_576 ?
N1 C1 C1 119.87(19) . 2_576 ?
C3 C2 C1 118.44(15) . . ?
C3 C2 H2A 120.8 . . ?
C1 C2 H2A 120.8 . . ?
C2 C3 C4 122.62(17) . . ?
C2 C3 H3A 118.7 . . ?
C4 C3 H3A 118.7 . . ?
C5 C4 C3 116.57(15) . . ?
C5 C4 C6 122.34(15) . . ?
C3 C4 C6 121.09(16) . . ?
N1 C5 C4 121.41(17) . . ?
N1 C5 H5A 119.3 . . ?
C4 C5 H5A 119.3 . . ?
C7 C6 C4 129.52(15) . . ?
C7 C6 S1 109.95(12) . . ?
C4 C6 S1 120.53(12) . . ?
C6 C7 C8 114.17(15) . . ?
C6 C7 H7A 122.9 . . ?
C8 C7 H7A 122.9 . . ?
C9 C8 C7 110.97(15) . . ?
C9 C8 C10 125.41(15) . . ?
C7 C8 C10 123.61(16) . . ?
C8 C9 S1 112.62(13) . . ?
C8 C9 H9A 123.7 . . ?
S1 C9 H9A 123.7 . . ?
C8 C10 C11 114.51(15) . . ?
C8 C10 H10A 108.6 . . ?
C11 C10 H10A 108.6 . . ?
C8 C10 H10B 108.6 . . ?
C11 C10 H10B 108.6 . . ?
H10A C10 H10B 107.6 . . ?
C12 C11 C10 113.70(15) . . ?
C12 C11 H11A 108.8 . . ?
C10 C11 H11A 108.8 . . ?
C12 C11 H11B 108.8 . . ?
C10 C11 H11B 108.8 . . ?
H11A C11 H11B 107.7 . . ?
C11 C12 C13 112.27(15) . . ?
C11 C12 H12A 109.2 . . ?
C13 C12 H12A 109.2 . . ?
C11 C12 H12B 109.2 . . ?
C13 C12 H12B 109.2 . . ?
H12A C12 H12B 107.9 . . ?
C12 C13 C14 114.57(15) . . ?
C12 C13 H13A 108.6 . . ?
C14 C13 H13A 108.6 . . ?
C12 C13 H13B 108.6 . . ?
C14 C13 H13B 108.6 . . ?
H13A C13 H13B 107.6 . . ?
C15 C14 C13 113.03(15) . . ?
C15 C14 H14A 109.0 . . ?
C13 C14 H14A 109.0 . . ?
C15 C14 H14B 109.0 . . ?
C13 C14 H14B 109.0 . . ?
H14A C14 H14B 107.8 . . ?
C16 C15 C14 113.82(15) . . ?
C16 C15 H15A 108.8 . . ?
C14 C15 H15A 108.8 . . ?
C16 C15 H15B 108.8 . . ?
C14 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C17 C16 C15 112.71(16) . . ?
C17 C16 H16A 109.0 . . ?
C15 C16 H16A 109.0 . . ?
C17 C16 H16B 109.0 . . ?
C15 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C18 C19 120.12(17) . . ?
N2 C18 H18A 119.9 . . ?
C19 C18 H18A 119.9 . . ?
C18 C19 C20 116.02(15) . . ?
C18 C19 C23 123.60(16) . . ?
C20 C19 C23 120.38(15) . . ?
C21 C20 C19 124.99(16) . . ?
C21 C20 H20A 117.5 . . ?
C19 C20 H20A 117.5 . . ?
C20 C21 C22 117.86(15) . . ?
C20 C21 H21A 121.1 . . ?
C22 C21 H21A 121.1 . . ?
C21 C22 N2 121.57(15) . . ?
C21 C22 C22 116.32(19) . 2_765 ?
N2 C22 C22 122.10(19) . 2_765 ?
C24 C23 C19 128.60(15) . . ?
C24 C23 S2 110.33(12) . . ?
C19 C23 S2 121.06(13) . . ?
C23 C24 C25 114.20(15) . . ?
C23 C24 H24A 122.9 . . ?
C25 C24 H24A 122.9 . . ?
C26 C25 C24 111.15(15) . . ?
C26 C25 C27 126.10(15) . . ?
C24 C25 C27 122.75(15) . . ?
C25 C26 S2 112.32(13) . . ?
C25 C26 H26A 123.8 . . ?
S2 C26 H26A 123.8 . . ?
C25 C27 C28 116.04(15) . . ?
C25 C27 H27A 108.3 . . ?
C28 C27 H27A 108.3 . . ?
C25 C27 H27B 108.3 . . ?
C28 C27 H27B 108.3 . . ?
H27A C27 H27B 107.4 . . ?
C27 C28 C29 112.33(15) . . ?
C27 C28 H28A 109.1 . . ?
C29 C28 H28A 109.1 . . ?
C27 C28 H28B 109.1 . . ?
C29 C28 H28B 109.1 . . ?
H28A C28 H28B 107.9 . . ?
C30 C29 C28 114.01(15) . . ?
C30 C29 H29A 108.8 . . ?
C28 C29 H29A 108.8 . . ?
C30 C29 H29B 108.8 . . ?
C28 C29 H29B 108.8 . . ?
H29A C29 H29B 107.6 . . ?
C29 C30 C31 113.06(15) . . ?
C29 C30 H30A 109.0 . . ?
C31 C30 H30A 109.0 . . ?
C29 C30 H30B 109.0 . . ?
C31 C30 H30B 109.0 . . ?
H30A C30 H30B 107.8 . . ?
C32 C31 C30 114.18(15) . . ?
C32 C31 H31A 108.7 . . ?
C30 C31 H31A 108.7 . . ?
C32 C31 H31B 108.7 . . ?
C30 C31 H31B 108.7 . . ?
H31A C31 H31B 107.6 . . ?
C33 C32 C31 113.06(16) . . ?
C33 C32 H32A 109.0 . . ?
C31 C32 H32A 109.0 . . ?
C33 C32 H32B 109.0 . . ?
C31 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
C34 C33 C32 113.7(2) . . ?
C34 C33 H33A 108.8 . . ?
C32 C33 H33A 108.8 . . ?
C34 C33 H33B 108.8 . . ?
C32 C33 H33B 108.8 . . ?
H33A C33 H33B 107.7 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C5 N1 C1 118.78(16) . . ?
C18 N2 C22 119.43(16) . . ?
C9 S1 C6 92.27(8) . . ?
C26 S2 C23 91.99(8) . . ?
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
C1 C2 1.362(2) . ?
C1 N1 1.375(2) . ?
C1 C1 1.487(3) 2_576 ?
C2 C3 1.355(2) . ?
C2 H2A 0.9300 . ?
C3 C4 1.404(2) . ?
C3 H3A 0.9300 . ?
C4 C5 1.395(2) . ?
C4 C6 1.473(2) . ?
C5 N1 1.371(2) . ?
C5 H5A 0.9300 . ?
C6 C7 1.375(2) . ?
C6 S1 1.7245(16) . ?
C7 C8 1.425(2) . ?
C7 H7A 0.9300 . ?
C8 C9 1.366(3) . ?
C8 C10 1.508(2) . ?
C9 S1 1.7115(17) . ?
C9 H9A 0.9300 . ?
C10 C11 1.528(2) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.522(2) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.526(2) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.527(2) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 C15 1.526(2) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.525(2) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C17 1.523(2) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 N2 1.382(2) . ?
C18 C19 1.397(2) . ?
C18 H18A 0.9300 . ?
C19 C20 1.400(2) . ?
C19 C23 1.467(2) . ?
C20 C21 1.333(2) . ?
C20 H20A 0.9300 . ?
C21 C22 1.352(2) . ?
C21 H21A 0.9300 . ?
C22 N2 1.395(2) . ?
C22 C22 1.478(3) 2_765 ?
C23 C24 1.368(2) . ?
C23 S2 1.7253(17) . ?
C24 C25 1.427(2) . ?
C24 H24A 0.9300 . ?
C25 C26 1.365(3) . ?
C25 C27 1.502(2) . ?
C26 S2 1.7230(18) . ?
C26 H26A 0.9300 . ?
C27 C28 1.522(2) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.524(2) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 C30 1.522(2) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 C31 1.525(2) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C32 1.521(2) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.520(3) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.518(3) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
