Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm
Sohei Fukui; Akari Kajihara; Toshiyuki Hirano; Fumitoshi Sato; Noriyuki Suzuki; Hirotaka Nagao; Inorganic Chemistry 50 (2011) 4713–4724; doi:10.1021/ic101940f

data_4325132
_publ_section_title
;
 Synthesis and Characterization of Ethylbis(2-pyridylethyl)amineruthenium
 Complexes and Two Different Types of C-H Bond Cleavage at an Ethylene Arm
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4713
_journal_page_last               4724
_journal_paper_doi               10.1021/ic101940f
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C22 H30 N6 Ru, 2(F6 P) '
_chemical_formula_sum            'C22 H30 F12 N6 P2 Ru'
_chemical_formula_weight         769.52
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.411(3)
_cell_angle_beta                 83.310(3)
_cell_angle_gamma                78.752(3)
_cell_formula_units_Z            4
_cell_length_a                   12.5691(2)
_cell_length_b                   13.1846(2)
_cell_length_c                   18.6141(4)
_cell_measurement_reflns_used    8356
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     3002.33(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23635
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.728
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_correction_T_min  0.867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_description       block
_exptl_crystal_F_000             1544.00
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.43
_refine_diff_density_min         -0.77
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     776
_refine_ls_number_reflns         13157
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0409P)^2^+7.7414P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                11875
_reflns_number_total             13157
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic101940f_si_002_1.cif
_cod_data_source_block           '__mer-[Ru(CH3CN)3(ebpea)](PF6)2'
_cod_original_cell_volume        3002.33(9)
_cod_original_formula_sum        'C22 H30 F12 N6 P2 Ru '
_cod_database_code               4325132