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_7702700
_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_sum            'C52 H44 Cl2 N10 O12 Ru2'
_chemical_formula_weight         1274.01
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                83.096(5)
_cell_angle_beta                 77.626(5)
_cell_angle_gamma                73.646(5)
_cell_formula_units_Z            2
_cell_length_a                   12.320(4)
_cell_length_b                   14.781(5)
_cell_length_c                   15.394(5)
_cell_measurement_temperature    173(2)
_cell_volume                     2622.0(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Siemens SMART Area Detector'
_diffrn_measurement_method
'\w rotation with narrow frames (0.3 degrees)'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_av_sigmaI/netI    0.1320
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            22478
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    0.751
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.91
_exptl_absorpt_correction_type   'Empirical, pseudo-azimuthal scan (SADABS)'
_exptl_crystal_colour            'dark purple'
_exptl_crystal_density_diffrn    1.614
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.502
_refine_diff_density_min         -1.430
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.957
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         9228
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.957
_refine_ls_R_factor_all          0.1560
_refine_ls_R_factor_gt           0.0772
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
calc w=1/[\s^2^(Fo^2^)+(0.1377P)^2^+0.0000P] where 
P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1912
_refine_ls_wR_factor_ref         0.2376
_reflns_number_gt                4818
_reflns_number_total             9228
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b107307a.txt
_cod_data_source_block           compound1
_cod_original_cell_volume        2622.1(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7702700