Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates
Takahiko Kojima; Kazuya Nakayama; Miyuki Sakaguchi; Takashi Ogura; Kei Ohkubo; Shunichi Fukuzumi; Journal of the American Chemical Society 133 (2011) 17901–17911; doi:10.1021/ja207572z

data_4107062
_publ_section_title
;
 Photochemical Activation of Ruthenium(II)-Pyridylamine Complexes Having a
 Pyridine-N-Oxide Pendant toward Oxygenation of Organic Substrates
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17901
_journal_page_last               17911
_journal_paper_doi               10.1021/ja207572z
_journal_volume                  133
_journal_year                    2011
_chemical_formula_moiety         'C30 H29 F12 N8 O P2 Ru '
_chemical_formula_sum            'C30 H29 F12 N8 O P2 Ru'
_chemical_formula_weight         908.61
_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                 114.9229(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   19.373(3)
_cell_length_b                   8.8414(11)
_cell_length_c                   21.969(3)
_cell_measurement_reflns_used    8019
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3412.5(8)
_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    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_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  0.030
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            25656
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.660
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.768
_exptl_crystal_description       block
_exptl_crystal_F_000             1820.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.09
_refine_diff_density_min         -0.80
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     479
_refine_ls_number_reflns         7574
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0673P)^2^+6.3506P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1380
_reflns_number_gt                6659
_reflns_number_total             7574
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja207572z_si_004.cif
_cod_data_source_block           '__RuTPA-ObpyMeCN2'
_cod_original_cell_volume        3412.6(8)
_cod_original_formula_sum        'C30 H29 F12 N8 O P2 Ru '
_cod_database_code               4107062