Tris(<i>O</i>,<i>O</i>'-dimethyl dithiophosphato-κ^2^<i>S</i>,<i>S</i>')arsenic(III)
Tetsuzo Ito; Acta Crystallographica Section E 60 (2004) m783–m784; doi:10.1107/S1600536804011237

data_2203800
_publ_section_title
;
 Tris(<i>O</i>,<i>O</i>'-dimethyl
 dithiophosphato-\k^2^<i>S</i>,<i>S</i>')arsenic(III)
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m783
_journal_page_last               m784
_journal_paper_doi               10.1107/S1600536804011237
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[As (C2 H6 O2 P1 S2)3]'
_chemical_formula_moiety         'C6 H18 As O6 P3 S6'
_chemical_formula_sum            'C6 H18 As O6 P3 S6'
_chemical_formula_weight         546.45
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                103.52(3)
_cell_angle_beta                 93.65(3)
_cell_angle_gamma                80.41(4)
_cell_formula_units_Z            2
_cell_length_a                   9.091(4)
_cell_length_b                   14.789(6)
_cell_length_c                   8.396(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      23.4
_cell_measurement_theta_min      22.3
_cell_volume                     1081.8(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPIII (Burnett & Johnson, 1996)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  CrystalStructure
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full 0.9998
_diffrn_measured_fraction_theta_max 0.9998
_diffrn_measurement_device_type  'Rigaku AFC-5S'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.009
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5277
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_standards_decay_%        0.54
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.388
_exptl_absorpt_correction_T_max  0.620
_exptl_absorpt_correction_T_min  0.381
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             552.00
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.36
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.541
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3686
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0310
_reflns_number_gt                3686
_reflns_number_total             4966
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ob6370.cif
_cod_data_source_block           I
_cod_database_code               2203800