Acid-base equilibria of various oxidation states of aqua-ruthenium complexes with 1,10-phenanthroline-5,6-dione in aqueous media.
Fujihara, Tetsuaki; Wada, Tohru; Tanaka, Koji; Dalton transactions (Cambridge, England : 2003)  (2004) 645–652; doi:10.1039/b312310c

data_7013692
_publ_section_title
;
 Acid-base equilibria of various oxidation states of aqua-ruthenium
 complexes with 1,10-phenanthroline-5,6-dione in aqueous media.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              645
_journal_page_last               652
_journal_paper_doi               10.1039/b312310c
_journal_year                    2004
_chemical_formula_sum            'C27 H21 Cl2 N5 O12 Ru'
_chemical_formula_weight         779.47
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.916(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1295(8)
_cell_length_b                   17.782(2)
_cell_length_c                   10.410(1)
_cell_measurement_reflns_used    4953
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     1499.3(3)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9935
_diffrn_measured_fraction_theta_max 0.9935
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.029
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            11826
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    0.774
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.030
_refine_diff_density_max         0.89
_refine_diff_density_min         -0.85
_refine_ls_abs_structure_Flack   -0.3(1)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.662
_refine_ls_number_parameters     420
_refine_ls_number_reflns         2995
_refine_ls_R_factor_gt           0.0710
_refine_ls_shift/su_max          0.0286
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.09500(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1926
_reflns_number_gt                2995
_reflns_number_total             3540
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b312310c.txt
_cod_data_source_block           '[Ru(trpy)(PD)(OH2)](ClO4)2_H2O'
_cod_original_cell_volume        1499.4(3)
_cod_original_formula_sum        'C27 H21 Cl2 N5 O12 Ru '
_cod_database_code               7013692