An Unusual Dinuclear Ruthenium(III) Complex with a Conjugated Bridging Ligand Derived from Cleavage of a 1,4-Dihydro-1,2,4,5-Tetrazine Ring. Synthesis, Structure, and UV-Vis-NIR Spectroelectrochemical Characterization of a Five-Membered Redox Chain Incorporating Two Mixed-Valence States
Srikanta Patra; Thomas A. Miller; Biprajit Sarkar; Mark Niemeyer; Michael D. Ward; Goutam Kumar Lahiri; Inorganic Chemistry 42 (2003) 4707–4713; doi:10.1021/ic034131n

data_4313909
_publ_section_title
;
 An Unusual Dinuclear Ruthenium(III) Complex with a Conjugated Bridging
 Ligand Derived from Cleavage of a 1,4-Dihydro-1,2,4,5-Tetrazine Ring.
 Synthesis, Structure, and UV-Vis-NIR Spectroelectrochemical
 Characterization of a Five-Membered Redox Chain Incorporating Two
 Mixed-Valence States
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4707
_journal_page_last               4713
_journal_paper_doi               10.1021/ic034131n
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C34 H48 Cl4 N8 O8 Ru2'
_chemical_formula_weight         1040.74
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_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                76.7230(11)
_cell_angle_beta                 80.9431(11)
_cell_angle_gamma                74.0127(11)
_cell_formula_units_Z            1
_cell_length_a                   7.83980(20)
_cell_length_b                   11.57980(29)
_cell_length_c                   13.12910(29)
_cell_measurement_reflns_used    25085
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      1.018
_cell_volume                     1109.52(5)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0940
_diffrn_reflns_av_sigmaI/netI    0.0542
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            36326
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.976
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
 X-SHAPE (Stoe, Darmstadt 1999) and HABITUS (W. Herrendorf and
 H. Barnighausen, Karlsruhe 1993, Gie\'aen 1996).
;
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             528
_refine_diff_density_max         0.621
_refine_diff_density_min         -1.037
_refine_diff_density_rms         0.238
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.100
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         5105
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.100
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0835P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1289
_refine_ls_wR_factor_ref         0.1492
_reflns_number_gt                3892
_reflns_number_total             5105
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034131nsi20030530_092635.cif
_cod_data_source_block           comoplex1
_cod_original_cell_volume        1109.516(48)
_cod_database_code               4313909