Pentasulfide S52- as the First Tridentate Chelating Ligand in Ru(P(OE)3)3S5 (E = Me and Et)
Md. Munkir Hossain; Kazuko Matsumoto; Inorganic Chemistry 39 (2000) 247–250; doi:10.1021/ic990764j

data_4300081
_publ_section_title
;
Pentasulfide S52- as the First Tridentate Chelating Ligand in
Ru(P(OE)3)3S5 (E = Me and Et)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              247
_journal_page_last               250
_journal_paper_doi               10.1021/ic990764j
_journal_volume                  39
_journal_year                    2000
_chemical_formula_moiety         'C9 H27 O9 P3 S5 Ru '
_chemical_formula_sum            'C9 H27 O9 P3 Ru S5'
_chemical_formula_weight         633.60
_space_group_IT_number           144
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_audit_creation_date             'Mon May 31 16:52:41 1999'
_audit_creation_method           ' from TEXRAY.INF file'
_cell_angle_alpha                90.07(9)
_cell_angle_beta                 90.15(9)
_cell_angle_gamma                120.04(3)
_cell_formula_units_Z            3
_cell_length_a                   14.231(10)
_cell_length_b                   14.227(9)
_cell_length_c                   10.24(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      29.8
_cell_volume                     1795(2)
_computing_cell_refinement       ' Rigaku/AFC Diffractometer Control '
_computing_data_collection       ' Rigaku/AFC Diffractometer Control '
_computing_data_reduction        ' teXsan '
_computing_publication_material  ' teXsan '
_computing_structure_refinement  ' teXsan '
_diffrn_ambient_temperature      298.2
_diffrn_measurement_device_type  ' Rigaku AFC7R '
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.07289
_diffrn_orient_matrix_UB_12      0.05937
_diffrn_orient_matrix_UB_13      -0.02860
_diffrn_orient_matrix_UB_21      0.02953
_diffrn_orient_matrix_UB_22      -0.05042
_diffrn_orient_matrix_UB_23      0.00822
_diffrn_orient_matrix_UB_31      -0.02011
_diffrn_orient_matrix_UB_32      -0.02295
_diffrn_orient_matrix_UB_33      -0.09300
_diffrn_radiation_detector       ' scintillation counter '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode '
_diffrn_radiation_type           ' Mo K/a '
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.015
_diffrn_reflns_av_sigmaI/netI    0.039
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3064
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         2.58
_diffrn_standards_decay_%        0.12
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.327
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.846
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   ' (Walker & Stuart, 1983 ) '
_exptl_crystal_colour            ' orange '
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_density_method    ' not measured '
_exptl_crystal_description       ' prismatic '
_exptl_crystal_F_000             966.00
_exptl_crystal_size_max          0.650
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.130
_refine_diff_density_max         1.01
_refine_diff_density_min         -1.27
_refine_ls_abs_structure_Flack   0.52(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   5.637
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     245
_refine_ls_number_reflns         1997
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0763
_refine_ls_shift/su_max          0.0030
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00002|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0768
_refine_ls_wR_factor_ref         0.0768
_reflns_number_gt                1997
_reflns_number_total             2753
_reflns_threshold_expression     '>2.0 sigma (I)'
_cod_original_cell_volume        1794(2)
_cod_original_sg_symbol_H-M      ' P 31 '
_cod_original_formula_sum        'C9 H27 O9 P3 S5 Ru '
_cod_database_code               4300081