Charged, but Found "Not Guilty": Innocence of the Suspect Bridging Ligands [RO(O)CNNC(O)OR]2-= L2-in [(acac)2Ru(μ-L)Ru(acac)2]n,n= +,0,-,2-
Sayak Roy; Biprajit Sarkar; Hans-Georg Imrich; Jan Fiedler; Stanislav Záliš; Reyes Jimenez-Aparicio; Francisco A. Urbanos; Shaikh M. Mobin; Goutam Kumar Lahiri; Wolfgang Kaim; Inorganic Chemistry 51 (2012) 9273–9281; doi:10.1021/ic300809w

data_4330158
_publ_section_title
;
 Charged, but Found "Not Guilty": Innocence of the Suspect Bridging
 Ligands [RO(O)CNNC(O)OR]2-= L2-in [(acac)2Ru(\m-L)Ru(acac)2]n,n= +,0,-,2-
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9273
_journal_page_last               9281
_journal_paper_doi               10.1021/ic300809w
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C28 H42 N2 O13 Ru2'
_chemical_formula_weight         816.79
_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                118.523(3)
_cell_angle_beta                 106.467(3)
_cell_angle_gamma                94.777(3)
_cell_formula_units_Z            1
_cell_length_a                   8.3121(4)
_cell_length_b                   10.9994(6)
_cell_length_c                   11.3339(5)
_cell_measurement_temperature    293(2)
_cell_volume                     843.21(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0521
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7081
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.72
_exptl_absorpt_coefficient_mu    0.959
_exptl_absorpt_correction_T_max  0.8167
_exptl_absorpt_correction_T_min  0.7425
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_density_diffrn    1.608
_exptl_crystal_F_000             416
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.819
_refine_diff_density_min         -1.034
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     214
_refine_ls_number_reflns         3832
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0467
_refine_ls_R_factor_gt           0.0374
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0459P)^2^+0.4406P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0932
_refine_ls_wR_factor_ref         0.0999
_reflns_number_gt                3353
_reflns_number_total             3832
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300809w_si_002.cif
_cod_data_source_block           gklgera
_cod_original_cell_volume        843.21(7)
_cod_database_code               4330158