Hexacarbonyldicobalt addition across the C[tripleC bond of the alkynethiolate ligand in the cluster [Ru~3~(μ~3~,η^2^-C[tripleCSiMe~3~)(μ-SC[tripleCSiMe~3~)(CO)~9~]
Esther Delgado; M. Isabel Alcade; Bruno Donnadieu; Elisa Hernandez; Javier Sanchez-Nieves; Acta Crystallographica Section E 59 (2003) m207–m209; doi:10.1107/S1600536803006597

data_2201863
_publ_section_title
;
 Hexacarbonyldicobalt addition across the C[tripleC bond of the
 alkynethiolate ligand in the cluster
 [Ru~3~(\m~3~,\h^2^-C[tripleCSiMe~3~)(\m-SC[tripleCSiMe~3~)(CO)~9~]
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m207
_journal_page_last               m209
_journal_paper_doi               10.1107/S1600536803006597
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Ru3 Co2 (C5 H9 Si) (C5 H9 S Si) (C O)15]'
_chemical_formula_moiety         'C25 H18 Co2 O15 Ru3 S Si2'
_chemical_formula_sum            'C25 H18 Co2 O15 Ru3 S Si2'
_chemical_formula_weight         1067.7
_chemical_name_systematic
;
\m-trimethylsilylethynyl-\m-trimethylsilylethynethiolato-
pentadecacarbonyldicobalttriruthenium
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                75.882(13)
_cell_angle_beta                 87.813(14)
_cell_angle_gamma                69.403(12)
_cell_formula_units_Z            2
_cell_length_a                   9.2407(10)
_cell_length_b                   12.0579(13)
_cell_length_c                   18.841(2)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      26.05
_cell_measurement_theta_min      2.25
_cell_volume                     1903.2(4)
_computing_cell_refinement       'IPDS software'
_computing_data_collection       'IPDS software (Stoe & Cie, 1996)'
_computing_data_reduction        'XRED (Stoe & Cie, 1996)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 and WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1992)'
_diffrn_measured_fraction_theta_full 0.905
_diffrn_measured_fraction_theta_max 0.905
_diffrn_measurement_device       'Stoe IPDS'
_diffrn_measurement_method       \f
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18747
_diffrn_reflns_theta_full        26.23
_diffrn_reflns_theta_max         26.23
_diffrn_reflns_theta_min         2.81
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.194
_exptl_absorpt_correction_T_max  0.752
_exptl_absorpt_correction_T_min  0.624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.863
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.76
_refine_diff_density_min         -0.765
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         6954
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0562P)^2^+2.2163P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0944
_reflns_number_gt                6294
_reflns_number_total             6954
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf6246.cif
_cod_data_source_block           I
_cod_database_code               2201863
_cod_database_fobs_code          2201863