Femtomolar level sensing of inorganic arsenic(III) in water and in living-systems using a non-toxic fluorescent probe
Biswajit Dey; Priyanka Mukherjee; Ranjan Kumar Mondal; Asoke Prasun Chattopadhyay; Ipsit Hauli; Subhra Kanti Mukhopadhyay; Michel Fleck; Chem.Commun. 50 (2014) 15263–; doi:10.1039/C4cc05023A

data_7116027
_publ_section_title
;
 Femtomolar level sensing of inorganic arsenic(III) in water and in
 living-systems using a non-toxic fluorescent probe
;
_journal_name_full               Chem.Commun.
_journal_page_first              15263
_journal_paper_doi               10.1039/C4cc05023A
_journal_volume                  50
_journal_year                    2014
_chemical_formula_sum            'C48 H48 Cu4 N8 O8'
_chemical_formula_weight         1119.10
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.86(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   6.8640(14)
_cell_length_b                   23.286(5)
_cell_length_c                   9.758(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1426.4(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.910
_diffrn_measured_fraction_theta_max 0.910
_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  0.1074
_diffrn_reflns_av_sigmaI/netI    0.1511
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9552
_diffrn_reflns_theta_full        33.26
_diffrn_reflns_theta_max         33.26
_diffrn_reflns_theta_min         3.48
_exptl_absorpt_coefficient_mu    1.523
_exptl_crystal_density_diffrn    1.303
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             572
_refine_diff_density_max         2.173
_refine_diff_density_min         -1.662
_refine_diff_density_rms         0.174
_refine_ls_extinction_coef       0.006(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.202
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     179
_refine_ls_number_reflns         5005
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.201
_refine_ls_R_factor_all          0.2390
_refine_ls_R_factor_gt           0.1240
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0644P)^2^+9.5405P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2595
_refine_ls_wR_factor_ref         0.2950
_reflns_number_gt                2225
_reflns_number_total             5005
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4cc05023a2.cif
_cod_data_source_block           1
_cod_original_cell_volume        1426.4(7)
_cod_database_code               7116027