High Nuclearity Ruthenium-Tin Clusters from the Reactions of Triphenylstannane with Pentaruthenium Carbonyl Carbido Cluster Complexes
Richard D. Adams; Burjor Captain; Wei Fu; Mark D. Smith; Inorganic Chemistry 41 (2002) 5593–5601; doi:10.1021/ic0204169

data_4318697
_publ_section_title
;
 High Nuclearity Ruthenium-Tin Clusters from the Reactions of
 Triphenylstannane with Pentaruthenium Carbonyl Carbido Cluster Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5593
_journal_page_last               5601
_journal_paper_doi               10.1021/ic0204169
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C69.25 H60.5 Cl0.5 O8 Ru5 Sn4'
_chemical_formula_weight         2018.51
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.8120(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.6107(11)
_cell_length_b                   18.7109(14)
_cell_length_c                   25.3931(19)
_cell_measurement_reflns_used    7349
_cell_measurement_temperature    190(2)
_cell_measurement_theta_max      26.40
_cell_measurement_theta_min      2.21
_cell_volume                     6769.1(9)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.619 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      190(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_sigmaI/netI    0.0412
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            46674
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.43
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    2.604
_exptl_absorpt_correction_T_max  0.694
_exptl_absorpt_correction_T_min  0.571
_exptl_absorpt_correction_type   SADABS
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.981
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3874
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.535
_refine_diff_density_min         -3.195
_refine_diff_density_rms         0.192
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     789
_refine_ls_number_reflns         11965
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0595
_refine_ls_shift/su_max          0.108
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0666P)^2^+63.9082P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1488
_refine_ls_wR_factor_ref         0.1550
_reflns_number_gt                9944
_reflns_number_total             11965
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0204169_5.cif
_cod_data_source_block           bclogos
_cod_original_formula_sum        'C69.25 H60.50 Cl0.50 O8 Ru5 Sn4'
_cod_database_code               4318697