Preparation, structure, and some coordination properties of 2-chloro-3,3-diphenyl-3-thioxo-1-(2,4,6-tri-t-butylphenyl)-1,3-diphosphapropene
Ito, Shigekazu; Liang, Hongze; Yoshifuji, Masaaki; Chemical Communications (Cambridge, United Kingdom)  (2003) 398–399; doi:10.1039/b211230b

data_7103961
_publ_section_title
;
 Preparation, structure, and some coordination properties of
 2-chloro-3,3-diphenyl-3-thioxo-1-(2,4,6-tri-t-butylphenyl)-1,3-diphosphapropene
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   3
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              398
_journal_page_last               399
_journal_paper_doi               10.1039/b211230b
_journal_year                    2003
_chemical_formula_moiety         'C31 H39 Cl I2 P2 S '
_chemical_formula_sum            'C31 H39 Cl I2 P2 S'
_chemical_formula_weight         794.92
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 89
_cell_angle_gamma                89
_cell_formula_units_Z            8
_cell_length_a                   11.751(1)
_cell_length_b                   38.246(3)
_cell_length_c                   15.542(1)
_cell_measurement_reflns_used    13856
_cell_measurement_temperature    243.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6985(1)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 7.7459
_diffrn_measured_fraction_theta_max 7.7459
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.043
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            59303
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_exptl_absorpt_coefficient_mu    2.047
_exptl_absorpt_correction_T_max  0.849
_exptl_absorpt_correction_T_min  0.563
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Jacobson, 1998)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.512
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.63
_refine_diff_density_min         -1.03
_refine_ls_abs_structure_Flack   0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.190
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     334
_refine_ls_number_reflns         3835
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.4021
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0531
_reflns_number_gt                3835
_reflns_number_total             8504
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b211230b.txt
_cod_data_source_block           b
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'C31 H39 Cl I2 P2 S '
_cod_database_code               7103961