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_4300082
_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         'C18 H45 O9 P3 S5 Ru '
_chemical_formula_sum            'C18 H45 O9 P3 Ru S5'
_chemical_formula_weight         759.84
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Mon Jul 19 11:37:13 1999'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.393(5)
_cell_length_b                   18.126(6)
_cell_length_c                   12.421(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     3466(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.297
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4425
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        -1.00
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.930
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.949
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.26
_refine_ls_abs_structure_Flack   -0.22(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.685
_refine_ls_number_parameters     326
_refine_ls_number_reflns         3010
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0528
_reflns_number_gt                3010
_reflns_number_total             4423
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_original_cell_volume        3465(1)
_cod_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        'C18 H45 O9 P3 S5 Ru '
_cod_database_code               4300082