Synthesis and Characterization of Ruthenium(II)-Pyridylamine Complexes with Catechol Pendants as Metal Binding Sites
Takahiko Kojima; Norihisa Hirasa; Daisuke Noguchi; Tomoya Ishizuka; Soushi Miyazaki; Yoshihito Shiota; Kazunari Yoshizawa; Shunichi Fukuzumi; Inorganic Chemistry 49 (2010) 3737–3745; doi:10.1021/ic902070q

data_4315367
_publ_section_title
;
 Synthesis and Characterization of Ruthenium(II)-Pyridylamine Complexes
 with Catechol Pendants as Metal Binding Sites
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3737
_journal_page_last               3745
_journal_paper_doi               10.1021/ic902070q
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C32 H28 Cl N6 O6 Ru, H2 O, Cl '
_chemical_formula_sum            'C32 H30 Cl2 N6 O7 Ru'
_chemical_formula_weight         782.60
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.0165(8)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.1592(2)
_cell_length_b                   16.1463(3)
_cell_length_c                   18.4551(7)
_cell_measurement_reflns_used    23447
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      25.7
_cell_measurement_theta_min      3.1
_cell_volume                     3891.83(17)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku & RAC 2007)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976)'
_computing_publication_material  'CrystalStructure (Rigaku & RAC 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  MERCURY
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25631
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_exptl_absorpt_coefficient_mu    0.589
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.876
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            unknown
_exptl_crystal_density_diffrn    1.336
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1592.00
_exptl_crystal_size_max          0.00
_exptl_crystal_size_mid          0.00
_exptl_crystal_size_min          0.00
_refine_diff_density_max         1.03
_refine_diff_density_min         -0.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     441
_refine_ls_number_reflns         7156
_refine_ls_R_factor_gt           0.0780
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1247P)^2^+7.4663P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2158
_reflns_number_gt                5351
_reflns_number_total             7156
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic902070q_si_002.cif
_cod_data_source_block           '_RGK1571'
_cod_original_cell_volume        3891.82(18)
_cod_original_formula_sum        'C32 H30 Cl2 N6 O7 Ru '
_cod_database_code               4315367