Preparation and coordination properties including catalytic activities of a bulky 2-methyl-3-thioxo-1,3-diphosphapropene.
Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki; Organic letters 6 (2004) 425–427; doi:10.1021/ol036330g

data_1506895
_publ_section_title
;
 Preparation and coordination properties including catalytic activities of
 a bulky 2-methyl-3-thioxo-1,3-diphosphapropene.
;
_journal_issue                   3
_journal_name_full               'Organic letters'
_journal_page_first              425
_journal_page_last               427
_journal_paper_doi               10.1021/ol036330g
_journal_volume                  6
_journal_year                    2004
_chemical_formula_sum            'C33.5 H45 Cl5 P2 Pd S'
_chemical_formula_weight         825.40
_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                108.13(1)
_cell_angle_beta                 109.703(5)
_cell_angle_gamma                77.28(2)
_cell_formula_units_Z            2
_cell_length_a                   13.0619(9)
_cell_length_b                   14.127(2)
_cell_length_c                   11.692(1)
_cell_measurement_reflns_used    6818
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.9
_cell_volume                     1914.2(4)
_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 0.8891
_diffrn_measured_fraction_theta_max 0.8891
_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  0.055
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13415
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.994
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.61
_refine_diff_density_min         -1.11
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.571
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     378
_refine_ls_number_reflns         3769
_refine_ls_R_factor_gt           0.0618
_refine_ls_shift/su_max          0.0395
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.08000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1631
_reflns_number_gt                3769
_reflns_number_total             7794
_reflns_threshold_expression     F^2^>4.0\s(F^2^)
_cod_data_source_file            ol036330gsi20031209_095028.cif
_cod_data_source_block           PdL
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C33.50 H45 Cl5 P2 Pd S '
_cod_database_code               1506895