Nonacarbonyl-μ-hydrido-(μ^3^,η^2^-triisopropylsilylethynyl)triruthenium
Delgado, E.; Donnadieu, B.; Hernandez, E.; Paz Martin, M.; Zamora, F.; Acta Crystallographica Section E 58 (2002) m571–m573; doi:10.1107/S1600536802016768

data_2201493
_publ_section_title
;
 Nonacarbonyl-\m-hydrido-(\m^3^,\h^2^-triisopropylsilylethynyl)triruthenium
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m571
_journal_page_last               m573
_journal_paper_doi               10.1107/S1600536802016768
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          '[Ru3 (C11 H22 Si) (C O)9]'
_chemical_formula_sum            'C20 H22 O9 Ru3 Si'
_chemical_formula_weight         737.68
_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                79.393(17)
_cell_angle_beta                 87.314(17)
_cell_angle_gamma                68.106(16)
_cell_formula_units_Z            2
_cell_length_a                   9.3592(13)
_cell_length_b                   11.8691(18)
_cell_length_c                   12.6669(17)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      1.5
_cell_volume                     1282.9(4)
_computing_cell_refinement       'IPDS software'
_computing_data_collection       'IPDS software (Stoe, 1996)'
_computing_data_reduction        'XRED (Stoe, 1996)'
_computing_molecular_graphics
'ORTEP3 for Windows (Farrugia, 1997) in WinGX'
_computing_publication_material  'SHELXL97 in WinGX'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997) in WinGX'
_computing_structure_solution
'SIR92 (Altomare et al, 1994) in WjnGX (Farrugia, 1999)'
_diffrn_measured_fraction_theta_full 0.897
_diffrn_measured_fraction_theta_max 0.897
_diffrn_measurement_device       'Stoe IPDS'
_diffrn_measurement_method       \f
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0275
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12223
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         3.47
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_time  3
_diffrn_standards_number         200
_exptl_absorpt_coefficient_mu    1.834
_exptl_absorpt_correction_T_max  0.463
_exptl_absorpt_correction_T_min  0.342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(Blessing, 1995)
;
_exptl_crystal_colour            'orange yellow'
_exptl_crystal_density_diffrn    1.91
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.400
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         4546
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_gt           0.0199
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0241P)^2^+1.1678P] where P = Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0541
_reflns_number_gt                4456
_reflns_number_total             4546
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh6000.cif
_cod_data_source_block           I
_cod_original_cell_volume        1282.9(3)
_cod_database_code               2201493
_cod_database_fobs_code          2201493