A regeneratable and highly selective fluorescent probe for sulfide detection in aqueous solution.
Wu, Xiaojing; Li, Hongda; Kan, Yuhe; Yin, Bingzhu; Dalton transactions (Cambridge, England : 2003) 42 (2013) 16302–16310; doi:10.1039/c3dt51953h

data_7023927
_publ_section_title
;
 A regeneratable and highly selective fluorescent probe for sulfide
 detection in aqueous solution.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16302
_journal_page_last               16310
_journal_paper_doi               10.1039/c3dt51953h
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C28 H35 Cl2 Cu N5 O5'
_chemical_formula_weight         656.05
_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                64.56(3)
_cell_angle_beta                 79.15(3)
_cell_angle_gamma                68.15(3)
_cell_formula_units_Z            2
_cell_length_a                   10.955(2)
_cell_length_b                   12.245(2)
_cell_length_c                   13.837(3)
_cell_measurement_temperature    291(2)
_cell_volume                     1554.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12113
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    0.918
_exptl_absorpt_correction_T_max  0.8978
_exptl_absorpt_correction_T_min  0.8056
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             682
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.896
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         5431
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0623
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1155P)^2^+1.6242P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1913
_refine_ls_wR_factor_ref         0.2082
_reflns_number_gt                3936
_reflns_number_total             5431
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51953h.txt
_cod_data_source_block           shelxl
_cod_original_cell_volume        1554.9(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7023927