Synthesis of Dithienobismoles as Novel Phosphorescence Materials
Ohshita, Joji; Matsui, Shigenori; Yamamoto, Roh; Mizumo, Tomonobu; Ooyama, Yousuke; Harima, Yutaka; Murafuji, Toshihiro; Tao, Keisuke; Kuramochi, Yusuke; Kaikoh, Takashi; Higashimura, Hideyuki; Organometallics 29 (2010) 3239–; doi:10.1021/om100560n

data_4066651
_publ_section_title
;
 Synthesis of Dithienobismoles as Novel Phosphorescence Materials
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              3239
_journal_paper_doi               10.1021/om100560n
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C20 H26 Bi S2 Si2 '
_chemical_formula_sum            'C20 H26 Bi S2 Si2'
_chemical_formula_weight         595.70
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000(7)
_cell_angle_beta                 100.9688(8)
_cell_angle_gamma                90.0000(7)
_cell_formula_units_Z            4
_cell_length_a                   14.7703(8)
_cell_length_b                   6.5197(2)
_cell_length_c                   25.2250(14)
_cell_measurement_reflns_used    5414
_cell_measurement_temperature    293.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2384.7(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.949
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.250
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            17335
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    7.657
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1156.00
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.60
_refine_diff_density_min         -2.64
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   7.987
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     1
_refine_ls_number_reflns         4223
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0868
_reflns_number_gt                4191
_reflns_number_total             5203
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100560n_si_002.cif
_cod_data_source_block           '__20090109'
_cod_original_cell_volume        2384.74(20)
_cod_original_formula_sum        'C20 H26 Bi S2 Si2 '
_cod_database_code               4066651