Thioether-tethered bisquinoline derivatives as fluorescent probes for mercury(ii) and iron(iii) ions
Mikata, Yuji; Nakagaki, Fumie; Nakanishi, Kaori; New Journal of Chemistry 37 (2013) 2236–; doi:10.1039/c3nj00233k

data_7053081
_publ_section_title
;
 Thioether-tethered bisquinoline derivatives as fluorescent probes for
 mercury(ii) and iron(iii) ions
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2236
_journal_paper_doi               10.1039/c3nj00233k
_journal_volume                  37
_journal_year                    2013
_chemical_formula_moiety         'C24 H24 N2 O2 S2'
_chemical_formula_sum            'C24 H24 N2 O2 S2'
_chemical_formula_weight         436.59
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_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
_cell_angle_alpha                90.0000
_cell_angle_beta                 105.080(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   45.859(4)
_cell_length_b                   6.0059(4)
_cell_length_c                   15.7820(10)
_cell_measurement_reflns_used    4772
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      3.04
_cell_volume                     4197.1(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_h_min       -59
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.278
_exptl_absorpt_correction_T_max  0.956
_exptl_absorpt_correction_T_min  0.835
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             1840.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.290
_refine_diff_density_min         -0.440
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    refxyz
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_refine_ls_number_reflns         4804
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0533P)^2^+4.6966P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                4407
_reflns_number_total             4804
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            c3nj00233k.txt
_cod_data_source_block           B(6MeOQ)ET-091208-55
_cod_database_code               7053081