Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene
Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide; Organometallics 25 (2006) 4026–; doi:10.1021/om060016j

data_4075061
_publ_section_title
;
 Preparation and Characterization of Luminescent SCS and NCN Pincer
 Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              4026
_journal_paper_doi               10.1021/om060016j
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C21 H18 N2 S2 '
_chemical_formula_sum            'C21 H18 N2 S2'
_chemical_formula_weight         362.51
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 113.112(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.239(12)
_cell_length_b                   17.766(17)
_cell_length_c                   9.630(10)
_cell_measurement_reflns_used    2677
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.7
_cell_volume                     1769(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_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 Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6571
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.307
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.886
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.361
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             760.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.44
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     130
_refine_ls_number_reflns         1551
_refine_ls_R_factor_gt           0.0359
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0515
_reflns_number_gt                1544
_reflns_number_total             1941
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om060016jsi20060106_071116.cif
_cod_data_source_block           ligand1
_cod_original_cell_volume        1768(3)
_cod_original_formula_sum        'C21 H18 N2 S2 '
_cod_database_code               4075061