Selective and sensitive turn-on chemosensor for arsenite ion at the ppb level in aqueous media applicable in cell staining.
Lohar, Somenath; Pal, Siddhartha; Sen, Buddhadeb; Mukherjee, Manjira; Banerjee, Samya; Chattopadhyay, Pabitra; Analytical chemistry 86 (2014) 11357–11361; doi:10.1021/ac503255f

data_1518124
_publ_section_title
;
 Selective and sensitive turn-on chemosensor for arsenite ion at the ppb
 level in aqueous media applicable in cell staining.
;
_journal_issue                   22
_journal_name_full               'Analytical chemistry'
_journal_page_first              11357
_journal_page_last               11361
_journal_paper_doi               10.1021/ac503255f
_journal_volume                  86
_journal_year                    2014
_chemical_formula_sum            'C31 H30 N6 O3'
_chemical_formula_weight         534.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 96.378(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6668(4)
_cell_length_b                   25.7408(11)
_cell_length_c                   14.5202(6)
_cell_measurement_temperature    296(2)
_cell_volume                     2847.8(2)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.299
_diffrn_measured_fraction_theta_max 0.988
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_unetI/netI     0.0219
_diffrn_reflns_Laue_measured_fraction_full 0.299
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            15971
_diffrn_reflns_point_group_measured_fraction_full 0.299
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         16.637
_diffrn_reflns_theta_min         2.120
_exptl_absorpt_coefficient_mu    0.083
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_F_000             1128
_refine_diff_density_max         0.232
_refine_diff_density_min         -0.229
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         1538
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0510
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1150P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1078
_refine_ls_wR_factor_ref         0.1302
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1268
_reflns_number_total             1538
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ac503255f_si_002.cif
_cod_data_source_block           PB_16
_cod_depositor_comments          'Adding full bibliography for 1518124.cif.'
_cod_database_code               1518124
_shelxl_version_number           2013-4