A Bimetallic Ru2Pt Complex Containing a Trigonal-Planar μ3-Carbido Ligand: Formation, Structure, and Reactivity Relevant to the Fischer-Tropsch Process
Shin Takemoto; Hidenobu Morita; Kenji Karitani; Hideki Fujiwara; Hiroyuki Matsuzaka; Journal of the American Chemical Society 131 (2009) 18026–18027; doi:10.1021/ja907387w

data_4105476
_publ_section_title
;
 A Bimetallic Ru2Pt Complex Containing a Trigonal-Planar \m3-Carbido
 Ligand: Formation, Structure, and Reactivity Relevant to the
 Fischer-Tropsch Process
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              18026
_journal_page_last               18027
_journal_paper_doi               10.1021/ja907387w
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C54 H60 B N O2 Ru2'
_chemical_formula_weight         967.98
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                88.3590(10)
_cell_angle_beta                 77.7210(10)
_cell_angle_gamma                87.2160(10)
_cell_formula_units_Z            2
_cell_length_a                   12.3348(6)
_cell_length_b                   12.4787(5)
_cell_length_c                   15.2195(6)
_cell_measurement_temperature    150(2)
_cell_volume                     2285.93(17)
_computing_cell_refinement       'rigaku process auto'
_computing_data_collection       'rigaku process auto'
_computing_data_reduction        'rigaku process auto'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'rigaku raxis rapid'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0386
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21263
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_theta_min         3.16
_exptl_absorpt_coefficient_mu    0.703
_exptl_absorpt_correction_T_max  0.9331
_exptl_absorpt_correction_T_min  0.7202
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   abscor
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.608
_refine_diff_density_min         -0.605
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.111
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         10058
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.111
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0567P)^2^+3.3375P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0932
_refine_ls_wR_factor_ref         0.1114
_reflns_number_gt                8559
_reflns_number_total             10058
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja907387w_si_004.cif
_cod_data_source_block           shelxl
_cod_database_code               4105476