Coordination ability of 1,10-phenanthroline-5,6-dione: syntheses and redox behavior of a Ru(ii) complex with an o-quinoid moiety and of bridged Ru(ii)?M(ii) complexes (M = Pd, Pt)
Fujihara, Tetsuaki; Okamura, Rei; Wada, Tohru; Tanaka, Koji; Dalton Transactions  (2003) 3221–; doi:10.1039/b304912d

data_7013139
_publ_section_title
;
 Coordination ability of 1,10-phenanthroline-5,6-dione: syntheses and
 redox behavior of a Ru(ii) complex with an o-quinoid moiety and of
 bridged Ru(ii)?M(ii) complexes (M = Pd, Pt)
;
_journal_issue                   16
_journal_name_full               'Dalton Transactions'
_journal_page_first              3221
_journal_paper_doi               10.1039/b304912d
_journal_year                    2003
_chemical_formula_sum            'C30 H21.5 Cl F6 N6.5 O2 P Ru'
_chemical_formula_weight         786.53
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.585(5)
_cell_length_b                   15.898(6)
_cell_length_c                   30.27(1)
_cell_measurement_reflns_used    12959
_cell_measurement_temperature    173.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6538(4)
_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 0.9939
_diffrn_measured_fraction_theta_max 0.9939
_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  0.070
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            340
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.684
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Dark Orange'
_exptl_crystal_density_diffrn    1.598
_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         1.50
_refine_diff_density_min         -0.75
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.973
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     412
_refine_ls_number_reflns         4005
_refine_ls_R_factor_gt           0.0781
_refine_ls_shift/su_max          0.0009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1901
_reflns_number_gt                4005
_reflns_number_total             7447
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b304912d.txt
_cod_data_source_block           '[Ru(trpy)(PD)Cl](PF6)_3/2(CH3CN)'
_cod_original_sg_symbol_H-M      Pbca
_cod_original_formula_sum        'C30 H21.5 Cl F6 N6.5 O2 P Ru '
_cod_database_code               7013139