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_4310497
_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 P2 Ru S5'
_chemical_formula_sum            'C35 H22 F15 P2 Ru S5'
_chemical_formula_weight         1050.84
_chemical_melting_point          461
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_date             2001-02-20
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.764(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.7424(18)
_cell_length_b                   19.721(2)
_cell_length_c                   21.8899(16)
_cell_measurement_reflns_used    58
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      12.49
_cell_measurement_theta_min      5.62
_cell_volume                     8073.5(13)
_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       '2\q/\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  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0545
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            11415
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.50
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30
_diffrn_source_power             1.5
_diffrn_source_voltage           50
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.823
_exptl_absorpt_correction_T_max  0.445
_exptl_absorpt_correction_T_min  0.419
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '8 psi scans, XSCAnS (Fait, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.729
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             4168
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.605
_refine_diff_density_min         -0.630
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7526
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0464
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0420P)^2^+10.7804P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0977
_refine_ls_wR_factor_ref         0.1123
_reflns_number_gt                4881
_reflns_number_total             7526
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic034125rsi20030804_100430_3.cif
_cod_data_source_block           4
_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        8073.3(13)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4310497