Insertion reactions of [M(SR)~3~(PMe~2~Ph)~2~] with CS~2~ (M = Ru, Os; R = C~6~F~4~H, C~6~F~5~). X-ray structures of [Ru(S~2~CSC~6~F~4~H-4)~2~(PMe~2~Ph)~2~], trans thiolates- M(SR)~2~(S~2~CSR)(PMe~2~Ph)~2~] (M = Ru; R = C~6~F~5~ and M = Os; R = C~6~F~4~H-4) and trans thiolate-phosphine- [Os(SC~6~F~5~)~2~(S~2~CSC~6~F~5~)(PMe~2~Ph)~2~]
Maribel Arroyo; Sylvain Bernès; Joaquín Cerón; Jordi Rius; Hugo Torrens; Inorganic Chemistry 43 (2004) 986–992; doi:10.1021/ic034125r

data_4310496
_publ_contact_author_address
; Centro de Qu\'imica del Instituto de Ciencias, BUAP
  Apdo. Postal J-42
  San Manuel
  C.P. 72571, Puebla, Pue.
  Mexico
;
_publ_contact_author_email       slarroyo@siu.buap.mx
_publ_contact_author_fax         (52)2222295551
_publ_contact_author_name        'Arroyo, Maribel'
_publ_contact_author_phone       (52)2222295500*7293
_publ_section_title
;
 Insertion reactions of [M(SR)~3~(PMe~2~Ph)~2~] with CS~2~ (M = Ru, Os; R
 = C~6~F~4~H, C~6~F~5~). X-ray structures of
 [Ru(S~2~CSC~6~F~4~H-4)~2~(PMe~2~Ph)~2~], trans thiolates-
 M(SR)~2~(S~2~CSR)(PMe~2~Ph)~2~] (M = Ru; R = C~6~F~5~ and M = Os; R =
 C~6~F~4~H-4) and trans thiolate-phosphine-
 [Os(SC~6~F~5~)~2~(S~2~CSC~6~F~5~)(PMe~2~Ph)~2~]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              986
_journal_page_last               992
_journal_paper_doi               10.1021/ic034125r
_journal_volume                  43
_journal_year                    2004
_chemical_compound_source        'recrystallized from hexan'
_chemical_formula_moiety         'C30 H24 F8 P2 Ru S6'
_chemical_formula_sum            'C30 H24 F8 P2 Ru S6'
_chemical_formula_weight         891.86
_chemical_melting_point          395
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_date             2000-07-11
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.075(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.2185(7)
_cell_length_b                   11.2170(7)
_cell_length_c                   16.0894(12)
_cell_measurement_reflns_used    71
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      12.99
_cell_measurement_theta_min      2.86
_cell_volume                     1772.1(2)
_computing_cell_refinement       'XSCANS 2.21 (Fait, 1996)'
_computing_data_collection       'XSCANS 2.21 (Fait, 1996)'
_computing_data_reduction        'XSCANS 2.21 (Fait, 1996)'
_computing_molecular_graphics    'SHELXTL 5.10 (Sheldrick, 1998)'
_computing_publication_material  'SHELX97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELX97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXTL 5.10 (Sheldrick, 1998)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector                 'Scintillation counter'
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0601
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5238
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.82
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30
_diffrn_source_power             1.5
_diffrn_source_voltage           50
_diffrn_standards_decay_%        2.5
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.951
_exptl_absorpt_correction_T_max  0.346
_exptl_absorpt_correction_T_min  0.311
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '24 \Y scans with XSCANS (Fait, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.429
_refine_diff_density_min         -0.663
_refine_diff_density_rms         0.080
_refine_ls_extinction_coef       0.0031(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         4079
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0284P)^2^+0.6071P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0944
_reflns_number_gt                2549
_reflns_number_total             4079
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic034125rsi20030804_100430_2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               4310496