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_7103960
_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_sum            'C35 H39 Cl O4 P2 S W'
_chemical_formula_weight         837.00
_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                90.023(6)
_cell_angle_beta                 91.993(2)
_cell_angle_gamma                89.968(6)
_cell_formula_units_Z            4
_cell_length_a                   17.180(2)
_cell_length_b                   20.019(1)
_cell_length_c                   10.807(1)
_cell_measurement_reflns_used    7881
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.1
_cell_volume                     3714.6(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_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_detector_area_resol_mean 0.010000
_diffrn_measured_fraction_theta_full 0.8754
_diffrn_measured_fraction_theta_max 0.8754
_diffrn_measurement_device_type  'Rigaku RAXIS-IV Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.119
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            28035
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.362
_exptl_absorpt_correction_T_max  0.511
_exptl_absorpt_correction_T_min  0.286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         1.31
_refine_diff_density_min         -2.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.277
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     789
_refine_ls_number_reflns         10223
_refine_ls_R_factor_gt           0.0639
_refine_ls_shift/su_max          0.0124
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.06000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1477
_reflns_number_gt                10223
_reflns_number_total             14887
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b211230b.txt
_cod_data_source_block           liang
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C35 H39 Cl O4 P2 S W '
_cod_database_code               7103960