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_4310495
_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_formula_moiety         'C35 H22 F15 Os P2 S5'
_chemical_formula_sum            'C35 H22 F15 Os P2 S5'
_chemical_formula_weight         1139.97
_chemical_melting_point          413
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             2003-01-27
_audit_creation_method           'by hand starting from raw printed material'
_cell_angle_alpha                90.00
_cell_angle_beta                 117.42(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.046(2)
_cell_length_b                   25.712(5)
_cell_length_c                   13.187(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      3
_cell_volume                     3926.5(14)
_computing_cell_refinement       'CAD4 software'
_computing_data_collection       'CAD4 software'
_computing_data_reduction        'CAD4 software'
_computing_molecular_graphics    'SHELXTL 5.10 (Sheldrick, 1998)'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-93 (Sheldrick, 1993)'
_diffrn_ambient_temperature      298(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0697
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12344
_diffrn_reflns_theta_max         30.42
_diffrn_reflns_theta_min         2.35
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.695
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'CAD4 software'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.928
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2212
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.570
_refine_diff_density_min         -1.438
_refine_diff_density_rms         0.18
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.951
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     502
_refine_ls_number_reflns         11511
_refine_ls_number_restraints     102
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.2362
_refine_ls_R_factor_gt           0.0555
_refine_ls_shift/esd_max         0.083
_refine_ls_shift/esd_mean        0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0946P)^2^+0P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1336
_refine_ls_wR_factor_ref         0.2025
_reflns_number_gt                4926
_reflns_number_total             11876
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ic034125rsi20030804_100430_1.cif
_cod_data_source_block           8
_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_cell_volume        3926.5(13)
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               4310495