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_4325135
_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         'C17 H21 N6 O7 Ru, F6 P, C H1.5 N0.5 '
_chemical_formula_sum            'C17 H22.5 F6 N6.5 O7 P Ru'
_chemical_formula_weight         675.94
_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                82.366(6)
_cell_angle_beta                 77.342(6)
_cell_angle_gamma                79.744(6)
_cell_formula_units_Z            2
_cell_length_a                   7.90440(10)
_cell_length_b                   10.8652(2)
_cell_length_c                   14.2991(2)
_cell_measurement_reflns_used    3951
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1173.41(5)
_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 0.952
_diffrn_measured_fraction_theta_max 0.952
_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  0.014
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9145
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.839
_exptl_absorpt_correction_T_max  0.935
_exptl_absorpt_correction_T_min  0.861
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.913
_exptl_crystal_description       block
_exptl_crystal_F_000             678.00
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.69
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     347
_refine_ls_number_reflns         5112
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0330P)^2^+2.5050P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0773
_reflns_number_gt                4955
_reflns_number_total             5112
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic101940f_si_002_4.cif
_cod_data_source_block           '__cis,fac-[Ru(ONO2)2(NO)(ebpea)]PF6_0.5CH3CN'
_cod_original_cell_volume        1173.41(3)
_cod_original_formula_sum        'C17 H22.50 F6 N6.50 O7 P Ru '
_cod_database_code               4325135