A dinuclear bis(bipyridine)ruthenium(ii) complex, [(bpy)2RuII{L2–}RuII(bpy)2]2+, incorporating an unusual non-innocent bridging ligand containing a p-benzoquinonediimine fragment: synthesis, structure, redox, and UV/VIS/NIR and EPR spectroelectrochemical properties
Chakraborty, Soma; Laye, Rebecca H.; Paul, Rowena L.; Gonnade, Rajesh G.; Puranik, Vedavati G.; Ward, Michael D.; Lahiri, Goutam Kumar; Journal of the Chemical Society, Dalton Transactions  (2002) 1172–; doi:10.1039/b107307a

data_7702701
_publ_section_title
;
 A dinuclear bis(bipyridine)ruthenium(ii) complex,
 [(bpy)2RuII{L2--}RuII(bpy)2]2+, incorporating an unusual non-innocent
 bridging ligand containing a p-benzoquinonediimine fragment: synthesis,
 structure, redox, and UV/VIS/NIR and EPR spectroelectrochemical
 properties
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1172
_journal_paper_doi               10.1039/b107307a
_journal_year                    2002
_chemical_formula_moiety         (OH)C6H4-N=CH-C6H4-CH=N-H4C6(OH)
_chemical_formula_sum            'C10 H8 N O'
_chemical_formula_weight         158.17
_chemical_name_common            diimine
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 92.090(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.5030(15)
_cell_length_b                   6.008(4)
_cell_length_c                   15.527(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12
_cell_measurement_theta_min      6
_cell_volume                     792.7(6)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'NRCVAX (PC Version) Gabe, E. J. et al., 1989)'
_computing_molecular_graphics    'ZORTEP (Zsolnai, L and Pritzkow, H, 1994)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.902
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1334
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1399
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.39
_diffrn_standards_decay_%        <4%
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.087
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             332
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.057
_refine_diff_density_max         0.134
_refine_diff_density_min         -0.216
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.641
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         1399
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.641
_refine_ls_R_factor_all          0.1707
_refine_ls_R_factor_gt           0.0574
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where 
P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_wR_factor_gt          0.1708
_refine_ls_wR_factor_ref         0.2283
_reflns_number_gt                580
_reflns_number_total             1399
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b107307a.txt
_cod_data_source_block           "'C10_H8_N_O'"
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7702701