Synthesis of π-Conjugated Oligomers Containing Dithienosilole Units
Kim, Dong-Ha; Ohshita, Joji; Lee, Kwang-Hoi; Kunugi, Yoshihito; Kunai, Atsutaka; Organometallics 25 (2006) 1511–1516; doi:10.1021/om0510122

data_4074929
_publ_section_title
;
 Synthesis of \p-Conjugated Oligomers Containing Dithienosilole Units
;
_journal_coden_ASTM              ORGND7
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1511
_journal_page_last               1516
_journal_paper_doi               10.1021/om0510122
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C42 H30 S6 Si2 '
_chemical_formula_sum            'C42 H30 S6 Si2'
_chemical_formula_weight         783.23
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                68.413(2)
_cell_angle_beta                 81.359(5)
_cell_angle_gamma                83.288(3)
_cell_formula_units_Z            1
_cell_length_a                   9.3886(5)
_cell_length_b                   10.5077(1)
_cell_length_c                   12.4065(6)
_cell_measurement_reflns_used    6471
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.1
_cell_volume                     1122.64(8)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9794
_diffrn_measured_fraction_theta_max 0.9794
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.027
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10174
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.384
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.158
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             406.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.73
_refine_diff_density_min         -0.84
_refine_ls_extinction_coef       70(7)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   17.068
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     242
_refine_ls_number_reflns         8452
_refine_ls_R_factor_gt           0.0790
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.1570
_reflns_number_gt                8452
_reflns_number_total             10174
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om0510122si20060119_091244.cif
_cod_data_source_block           '_DTS-dimer-2______________'
_cod_original_formula_sum        'C42 H30 S6 Si2 '
_cod_database_code               4074929