S‒H Bond cleavage versus thiol co-ordination in half-sandwich ruthenium complexes †
Coto, Alberto; de los Ríos, Isaac; Tenorio, Manuel Jiménez; Puerta, M. Carmen; Valerga, Pedro; Journal of the Chemical Society, Dalton Transactions  (1999) 4309–; doi:10.1039/a906110j

data_7027733
_publ_contact_author
;
 M.Carmen Puerta
 Departamento de Ciencia de los Materiales e Ingenieria Metalurgica y      
 Quimica Inorganica
 Facultad de Ciencias de la Universidad de Cadiz
 Apartado 40. Puerto Real. 11510. Spain. 
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_publ_section_title
;
 S--H Bond cleavage versus thiol co-ordination in half-sandwich ruthenium
 complexes&#x200A;&#x2020;
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_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              4309
_journal_paper_doi               10.1039/a906110j
_journal_year                    1999
_chemical_formula_moiety         'C25 H42 P2 S Ru '
_chemical_formula_sum            'C25 H42 P2 Ru S'
_chemical_formula_weight         537.68
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_audit_creation_date             'Fri Feb  5 10:53:45 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.449(4)
_cell_length_b                   17.442(2)
_cell_length_c                   15.578(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    290.2
_cell_measurement_theta_max      25.8
_cell_measurement_theta_min      23.5
_cell_volume                     5284.5(14)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      290.2
_diffrn_measurement_device       AFC6S
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      0.01623
_diffrn_orient_matrix_UB_12      0.05053
_diffrn_orient_matrix_UB_13      0.02253
_diffrn_orient_matrix_UB_21      0.00353
_diffrn_orient_matrix_UB_22      0.01995
_diffrn_orient_matrix_UB_23      -0.06003
_diffrn_orient_matrix_UB_31      -0.04866
_diffrn_orient_matrix_UB_32      0.01833
_diffrn_orient_matrix_UB_33      0.00319
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_number            3891
_diffrn_reflns_theta_max         25.05
_diffrn_standards_decay_%        -0.40
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.786
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.942
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2256.00
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.170
_refine_diff_density_max         -0.64
_refine_diff_density_min         0.56
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.912
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         1658
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0503
_refine_ls_shift/esd_max         0.2358
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0624
_reflns_number_observed          1658
_reflns_number_total             3891
_reflns_observed_criterion       3.00
_cod_data_source_file            906110Jsup1.cif
_cod_data_source_block           '[RU(CP)(DIPPE)(SPH)]'
_cod_original_cell_volume        5284(2)
_cod_original_sg_symbol_H-M      'P b c a    '
_cod_original_formula_sum        'C25 H42 P2 S Ru '
_cod_database_code               7027733