Synthesis, Structural Characterization, and Photophysical, Electrochemical, Intercomponent Energy-Transfer, and Anion-Sensing Studies of Imidazole 4,5-Bis(benzimidazole)-Bridged OsIIOsII and RuIIOsII Bipyridine Complexes
Debasish Saha; Shyamal Das; Dinesh Maity; Supriya Dutta; Sujoy Baitalik; Inorganic Chemistry 50 (2011) 46–61; doi:10.1021/ic100905u

data_4324080
_publ_section_title
;
 Synthesis, Structural Characterization, and Photophysical,
 Electrochemical, Intercomponent Energy-Transfer, and Anion-Sensing
 Studies of Imidazole 4,5-Bis(benzimidazole)-Bridged OsIIOsII and RuIIOsII
 Bipyridine Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              46
_journal_page_last               61
_journal_paper_doi               10.1021/ic100905u
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C57 H43 Cl3 N14 O12 Os Ru'
_chemical_formula_weight         1513.67
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.206(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.4677(6)
_cell_length_b                   21.8071(11)
_cell_length_c                   23.6161(12)
_cell_measurement_reflns_used    5665
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      2.48
_cell_measurement_theta_min      2.48
_cell_volume                     6420.8(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0941
_diffrn_reflns_av_sigmaI/netI    0.0708
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            74267
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         1.27
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    2.406
_exptl_absorpt_correction_T_max  0.6578
_exptl_absorpt_correction_T_min  0.5040
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             3000
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.19
_platon_squeeze_details
;
;
_refine_diff_density_max         3.829
_refine_diff_density_min         -1.281
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     789
_refine_ls_number_reflns         11348
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.157
_refine_ls_R_factor_all          0.1119
_refine_ls_R_factor_gt           0.0726
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+7.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1944
_refine_ls_wR_factor_ref         0.2090
_reflns_number_gt                7009
_reflns_number_total             11348
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100905u_si_003.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      'P 1 21/n 1 '
_cod_database_code               4324080