Novel Coordinatively Unsaturated Bimetallic Complexes, [(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(η5-C5Me5)]+: A Bridging Amidinate Ligand Perpendicular to the Metal-Metal Axis Effectively Stabilizes the Highly Reactive Cationic Diruthenium Species
Hideo Kondo; Kouki Matsubara; Hideo Nagashima; Journal of the American Chemical Society 124 (2002) 534–535; doi:10.1021/ja016899h

data_4114589
_publ_section_title
;
 Novel Coordinatively Unsaturated Bimetallic Complexes,
 [(\h5-C5Me5)Ru(\m2-iPrNC(Me)NiPr)Ru(\h5-C5Me5)]+: A Bridging Amidinate
 Ligand Perpendicular to the Metal-Metal Axis Effectively Stabilizes the
 Highly Reactive Cationic Diruthenium Species
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              534
_journal_page_last               535
_journal_paper_doi               10.1021/ja016899h
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C52 H49 B F20 N2 Ru2'
_chemical_formula_weight         1294.89
_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
_cell_angle_beta                 93.4660(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.1154(3)
_cell_length_b                   15.3888(3)
_cell_length_c                   23.4856(7)
_cell_measurement_reflns_used    52395
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.6
_cell_volume                     5092.2(2)
_computing_cell_refinement       'MSC/RAXIS-RAPID Diffractometer Control'
_computing_data_collection       'MSC/RAXIS-RAPID Diffractometer Control'
_computing_data_reduction
;
teXsan for Windows version 1.06 (MSC, 1997-1999)
;
_computing_molecular_graphics
;
ORTEP-III for Windows version 1.0.4 (Farruga, 1998)
;
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1994)
;
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.000
_diffrn_measured_fraction_theta_max 0.932
_diffrn_measurement_device       'Rigaku RAXIS-RAPID'
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            10878
_diffrn_reflns_theta_full        0.50
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         0.87
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.706
_exptl_absorpt_correction_T_max  1.226
_exptl_absorpt_correction_T_min  0.712
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_description       prism
_exptl_crystal_F_000             2592.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.624
_refine_diff_density_min         -1.763
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.217
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     702
_refine_ls_number_reflns         10878
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.217
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0417
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0668P)^2^+8.0215P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1316
_reflns_number_gt                9526
_reflns_number_total             10878
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja016899h_s2_4.cif
_cod_data_source_block           5d
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C52 H49 B F20 N2 Ru2 '
_cod_database_code               4114589