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_4327115
_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            'C72 H46 Cl2 N10 O10 Os'
_chemical_formula_weight         1472.29
_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                106.331(5)
_cell_angle_beta                 102.036(5)
_cell_angle_gamma                98.161(5)
_cell_formula_units_Z            2
_cell_length_a                   11.442(5)
_cell_length_b                   17.217(5)
_cell_length_c                   18.199(5)
_cell_measurement_reflns_used    9956
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      21.39
_cell_measurement_theta_min      2.34
_cell_volume                     3287(2)
_computing_cell_refinement       'SMART (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2002)'
_computing_publication_material  'SHELXTL (Bruker, 2002)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean '\f and \w scans'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  '\f and \w scans'
_diffrn_measurement_method       'CCD area detector'
_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  0.0504
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            47051
_diffrn_reflns_theta_full        25.09
_diffrn_reflns_theta_max         25.09
_diffrn_reflns_theta_min         1.21
_exptl_absorpt_coefficient_mu    2.089
_exptl_absorpt_correction_T_max  0.6657
_exptl_absorpt_correction_T_min  0.5637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2000)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1476
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.26
_platon_squeeze_details
;
;
_refine_diff_density_max         1.245
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.876
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     841
_refine_ls_number_reflns         11645
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.876
_refine_ls_R_factor_all          0.0606
_refine_ls_R_factor_gt           0.0457
_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^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1334
_reflns_number_gt                9049
_reflns_number_total             11645
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201610w_si_004.cif
_cod_data_source_block           skb_cb_1nov_0m
_cod_original_cell_volume        3287.1(19)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4327115