Reversible Fluorescent Probe for Highly Selective and Sensitive Detection of Mercapto Biomolecules
Jiasheng Wu; Ruilong Sheng; Weimin Liu; Pengfei Wang; Jingjin Ma; Hongyan Zhang; Xiaoqing Zhuang; Inorganic Chemistry 50 (2011) 6543–6551; doi:10.1021/ic200181p

data_4325585
_publ_section_title
;
 Reversible Fluorescent Probe for Highly Selective and Sensitive Detection
 of Mercapto Biomolecules
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6543
_journal_page_last               6551
_journal_paper_doi               10.1021/ic200181p
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C30 H36 Cl4 Hg2 N8 O4 S2'
_chemical_formula_weight         1179.79
_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                97.93(3)
_cell_angle_beta                 105.24(3)
_cell_angle_gamma                94.29(3)
_cell_formula_units_Z            1
_cell_length_a                   8.2194(16)
_cell_length_b                   9.3156(19)
_cell_length_c                   13.358(3)
_cell_measurement_temperature    296(2)
_cell_volume                     970.8(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0593
_diffrn_reflns_av_sigmaI/netI    0.0852
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            8055
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    8.326
_exptl_absorpt_correction_T_max  0.7883
_exptl_absorpt_correction_T_min  0.2121
_exptl_crystal_density_diffrn    2.018
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.236
_refine_diff_density_min         -1.498
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.989
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4440
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.0905
_refine_ls_R_factor_gt           0.0624
_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^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1529
_refine_ls_wR_factor_ref         0.1656
_reflns_number_gt                3383
_reflns_number_total             4440
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic200181p_si_004.cif
_cod_data_source_block           a
_cod_original_cell_volume        970.8(3)
_cod_database_code               4325585