Monometallic and Bimetallic Ruthenium(II) Complexes Derived from 4,5-Bis(benzimidazol-2-yl)imidazole (H3Imbzim) and 2,2'-Bipyridine as Colorimetric Sensors for Anions: Synthesis, Characterization, and Binding Studies
Debasish Saha; Shyamal Das; Chanchal Bhaumik; Supriya Dutta; Sujoy Baitalik; Inorganic Chemistry 49 (2010) 2334–2348; doi:10.1021/ic9022272

data_4315025
_publ_section_title
;
 Monometallic and Bimetallic Ruthenium(II) Complexes Derived from
 4,5-Bis(benzimidazol-2-yl)imidazole (H3Imbzim) and 2,2'-Bipyridine as
 Colorimetric Sensors for Anions: Synthesis, Characterization, and Binding
 Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2334
_journal_page_last               2348
_journal_paper_doi               10.1021/ic9022272
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C37 H28 Cl2 N10 O9 Ru'
_chemical_formula_weight         928.66
_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                97.114(5)
_cell_angle_beta                 93.968(5)
_cell_angle_gamma                91.541(5)
_cell_formula_units_Z            2
_cell_length_a                   9.476(5)
_cell_length_b                   12.977(5)
_cell_length_c                   16.818(5)
_cell_measurement_temperature    100(2)
_cell_volume                     2046.0(15)
_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      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '\p and \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  0.0682
_diffrn_reflns_av_sigmaI/netI    0.0749
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            24012
_diffrn_reflns_theta_full        25.06
_diffrn_reflns_theta_max         25.06
_diffrn_reflns_theta_min         1.22
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    0.579
_exptl_absorpt_correction_T_max  0.8831
_exptl_absorpt_correction_T_min  0.8185
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.507
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_platon_squeeze_details
;
;
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.835
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         7206
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.0855
_refine_ls_R_factor_gt           0.0579
_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^)+(0.0896P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1381
_refine_ls_wR_factor_ref         0.1521
_reflns_number_gt                5113
_reflns_number_total             7206
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9022272_si_003.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4315025