Formation of bis(2-pyridylcarbonyl)aminate by oxidation of ethylbis(2-pyridylmethyl)amine on the trichloridoruthenium(iii) complex.
Nagao, Hirotaka; Shimura, Naoto; Yonezawa, Haruka; Dalton transactions (Cambridge, England : 2003) 43 (2014) 15391–15397; doi:10.1039/c4dt01842g

data_7032283
_publ_section_title
;
 Formation of bis(2-pyridylcarbonyl)aminate by oxidation of
 ethylbis(2-pyridylmethyl)amine on the trichloridoruthenium(iii) complex.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15391
_journal_page_last               15397
_journal_paper_doi               10.1039/c4dt01842g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C12 H9 N3 O2 Ru, 2(H2 O), 5(H1 O0.5)'
_chemical_formula_sum            'C12 H18 Cl3 N3 O6.5 Ru'
_chemical_formula_weight         515.72
_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                90.0000
_cell_angle_beta                 96.7949(15)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.139(4)
_cell_length_b                   8.711(4)
_cell_length_c                   21.250(8)
_cell_measurement_reflns_used    5055
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.03
_cell_volume                     1863.6(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0267
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            14104
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.307
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.868
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.838
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1032.00
_exptl_crystal_size_max          0.075
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.020
_refine_diff_density_min         -0.710
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     253
_refine_ls_number_reflns         4255
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0352
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0242P)^2^+4.7157P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0794
_reflns_number_gt                3845
_reflns_number_total             4265
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c4dt01842g2.cif
_cod_data_source_block           RuCl3Hbpca
_cod_depositor_comments
'Adding full bibliography for 7032281--7032283.cif.'
_cod_original_cell_volume        1863.6(12)
_cod_original_formula_sum        'C12 H18 Cl3 N3 O6.50 Ru'
_cod_database_code               7032283