(η5-C5Me5)Ru(μ2-iPrNC(Me)NiPr)Ru(X)(η5-C5Me5): An Unusual Bonding Mode of μ2-Amidinate Ligand Providing the First Unequivocal Evidence for Coordinating Ability of π-Conjugate Electrons of the Amidinate Ligands to Transition Metals
Hideo Kondo; Yoshitaka Yamaguchi; Hideo Nagashima; Journal of the American Chemical Society 123 (2001) 500–501; doi:10.1021/ja003250o

data_4115420
_publ_section_title
;
 (\h5-C5Me5)Ru(\m2-iPrNC(Me)NiPr)Ru(X)(\h5-C5Me5): An Unusual Bonding Mode
 of \m2-Amidinate Ligand Providing the First Unequivocal Evidence for
 Coordinating Ability of \p-Conjugate Electrons of the Amidinate Ligands
 to Transition Metals
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              500
_journal_page_last               501
_journal_paper_doi               10.1021/ja003250o
_journal_volume                  123
_journal_year                    2001
_chemical_formula_moiety         'C28 H47 Br N2 Ru2 '
_chemical_formula_sum            'C28 H47 Br N2 Ru2'
_chemical_formula_weight         693.74
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 96.205(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7616(2)
_cell_length_b                   15.8832(4)
_cell_length_c                   18.6844(3)
_cell_measurement_reflns_used    25861
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.1
_cell_volume                     2879.96(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction
'teXsan for Windows version 1.06 (MSC, 1997-1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      223.2
_diffrn_measured_fraction_theta_max 0.934
_diffrn_measurement_device       'Rigaku RAXIS-CS'
_diffrn_orient_matrix_UB_11      0.06102
_diffrn_orient_matrix_UB_12      -0.05048
_diffrn_orient_matrix_UB_13      0.00774
_diffrn_orient_matrix_UB_21      -0.07603
_diffrn_orient_matrix_UB_22      -0.03649
_diffrn_orient_matrix_UB_23      -0.02282
_diffrn_orient_matrix_UB_31      0.03339
_diffrn_orient_matrix_UB_32      0.00917
_diffrn_orient_matrix_UB_33      -0.04814
_diffrn_radiation_detector       'Imaging Plate'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.05244
_diffrn_reflns_av_sigmaI/netI    0.070
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6363
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.10
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.459
_exptl_absorpt_correction_T_max  0.865
_exptl_absorpt_correction_T_min  0.689
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_description       prism
_exptl_crystal_F_000             1408.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.562
_refine_diff_density_min         -1.179
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         6168
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0555P)^2^+0.6877P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1013
_refine_ls_wR_factor_ref         0.1065
_reflns_number_gt                4928
_reflns_number_total             6168
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja003250o_1.cif
_cod_data_source_block           JA003250O_cpd_3b
_cod_original_cell_volume        2879.96(9)
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_original_formula_sum        'C28 H47 Br N2 Ru2 '
_cod_database_code               4115420