One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium Complexes
David Schweinfurth; Hari Sankar Das; Fritz Weisser; Denis Bubrin; Biprajit Sarkar; Inorganic Chemistry 50 (2011) 1150–1159; doi:10.1021/ic101972u

data_4324358
_publ_section_title
;
 One-Pot Synthesis of Symmetric and Asymmetric p-Quinone Ligands and
 Unprecedented Substituent Induced Reactivity in Their Dinuclear Ruthenium
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1150
_journal_page_last               1159
_journal_paper_doi               10.1021/ic101972u
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C40 H44 Cl2 N2 O2 Ru2 S2, C H4 O, C2 H3 N'
_chemical_formula_sum            'C43 H51 Cl2 N3 O3 Ru2 S2'
_chemical_formula_weight         995.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 96.245(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   36.128(4)
_cell_length_b                   11.6518(13)
_cell_length_c                   23.099(3)
_cell_measurement_reflns_used    85
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      4.5
_cell_volume                     9666(2)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_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  0.1056
_diffrn_reflns_av_sigmaI/netI    0.1341
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            10790
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.13
_diffrn_standards_interval_count 298
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.859
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.367
_exptl_crystal_description       block
_exptl_crystal_F_000             4064
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.4
_platon_squeeze_details
;
;
_refine_diff_density_max         2.076
_refine_diff_density_min         -2.237
_refine_diff_density_rms         0.239
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.318
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     494
_refine_ls_number_reflns         9317
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.319
_refine_ls_R_factor_all          0.1731
_refine_ls_R_factor_gt           0.1086
_refine_ls_shift/su_max          0.862
_refine_ls_shift/su_mean         0.011
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2359
_refine_ls_wR_factor_ref         0.2550
_reflns_number_gt                5553
_reflns_number_total             9317
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101972u_si_002.cif
_cod_data_source_block           schw07
_cod_original_cell_volume        9666.0(19)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4324358