Synthesis, Structural Characterization, Photophysical, Electrochemical, and Anion-Sensing Studies of Luminescent Homo- and Heteroleptic Ruthenium(II) and Osmium(II) Complexes Based on Terpyridyl-imidazole Ligand
Chanchal Bhaumik; Debasish Saha; Shyamal Das; Sujoy Baitalik; Inorganic Chemistry 50 (2011) 12586–12600; doi:10.1021/ic201610w

data_4327113
_publ_section_title
;
 Synthesis, Structural Characterization, Photophysical, Electrochemical,
 and Anion-Sensing Studies of Luminescent Homo- and Heteroleptic
 Ruthenium(II) and Osmium(II) Complexes Based on Terpyridyl-imidazole
 Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              12586
_journal_page_last               12600
_journal_paper_doi               10.1021/ic201610w
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C55 H36 Cl2 N10 O10 Ru'
_chemical_formula_weight         1168.91
_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                77.681(6)
_cell_angle_beta                 83.095(6)
_cell_angle_gamma                69.194(6)
_cell_formula_units_Z            2
_cell_length_a                   13.161(3)
_cell_length_b                   15.363(3)
_cell_length_c                   16.558(4)
_cell_measurement_reflns_used    6102
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.82
_cell_measurement_theta_min      2.38
_cell_volume                     3053.9(12)
_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    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0696
_diffrn_reflns_av_sigmaI/netI    0.0891
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34480
_diffrn_reflns_theta_full        24.79
_diffrn_reflns_theta_max         24.79
_diffrn_reflns_theta_min         1.44
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.404
_exptl_absorpt_correction_T_max  0.8918
_exptl_absorpt_correction_T_min  0.8296
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1188
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.29
_platon_squeeze_details
;
;
_refine_diff_density_max         0.541
_refine_diff_density_min         -0.512
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.868
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     739
_refine_ls_number_reflns         10415
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.868
_refine_ls_R_factor_all          0.1063
_refine_ls_R_factor_gt           0.0548
_refine_ls_shift/su_max          0.002
_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^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1378
_refine_ls_wR_factor_ref         0.1595
_reflns_number_gt                5915
_reflns_number_total             10415
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201610w_si_002.cif
_cod_data_source_block           2
_cod_original_cell_volume        3053.9(11)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4327113