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_4325139
_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         'C16 H20 Cl2 N4 O Ru '
_chemical_formula_sum            'C16 H20 Cl2 N4 O Ru'
_chemical_formula_weight         456.34
_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'
_cell_angle_alpha                90.0000
_cell_angle_beta                 95.4396(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   8.8374(14)
_cell_length_b                   14.573(2)
_cell_length_c                   13.523(2)
_cell_measurement_reflns_used    5415
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     1733.7(4)
_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 0.994
_diffrn_measured_fraction_theta_max 0.994
_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       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13220
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.223
_exptl_absorpt_correction_T_max  0.918
_exptl_absorpt_correction_T_min  0.849
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.748
_exptl_crystal_description       block
_exptl_crystal_F_000             920.00
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.67
_refine_diff_density_min         -0.73
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     218
_refine_ls_number_reflns         3957
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0288P)^2^+2.0728P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0575
_reflns_number_gt                3860
_reflns_number_total             3957
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic101940f_si_002_8.cif
_cod_data_source_block           '__[RuCl2{N(O)CH(py)CH2N(C2H5)C2H4py}]'
_cod_original_cell_volume        1733.7(5)
_cod_original_formula_sum        'C16 H20 Cl2 N4 O Ru '
_cod_database_code               4325139