Synthesis and Properties of Ph2S(N(Ph2)S\τbN)2
Takayoshi Fujii; Mihoko Kanno; Mitsuo Hirata; Teruyoshi Fujimori; Toshiaki Yoshimura; Inorganic Chemistry 44 (2005) 8653–8655; doi:10.1021/ic051523g

data_4310132
_publ_section_title
;
Synthesis and Properties of Ph2S(N(Ph2)S\\tbN)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8653
_journal_page_last               8655
_journal_paper_doi               10.1021/ic051523g
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C36 H34 N4 O2 S3'
_chemical_formula_weight         650.87
_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
_cell_angle_beta                 128.616(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.830(2)
_cell_length_b                   8.968(2)
_cell_length_c                   17.906(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.8
_cell_measurement_theta_min      13.3
_cell_volume                     3366.3(9)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9996
_diffrn_measured_fraction_theta_max 0.9996
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            5304
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_standards_decay_%        2.00
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.258
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.284
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.23
_refine_diff_density_min         -0.37
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.204
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     272
_refine_ls_number_reflns         2929
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.0006
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00063|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0527
_reflns_number_gt                2929
_reflns_number_total             4910
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            ic051523gsi20050907_111614.cif
_cod_data_source_block           3mer_No1
_cod_original_cell_volume        3366.6(8)
_cod_original_formula_sum        'C36 H34 N4 O2 S3 '
_cod_database_code               4310132