Nickel(II)-Induced Excimer Formation of a Naphthalene-Based Fluorescent Probe for Living Cell Imaging
Arnab Banerjee; Animesh Sahana; Subarna Guha; Sisir Lohar; Ipsit Hauli; Subhra Kanti Mukhopadhyay; Jesús Sanmartín Matalobos; Debasis Das; Inorganic Chemistry 51 (2012) 5699–5704; doi:10.1021/ic300130y

data_4329189
_publ_section_title
;
 Nickel(II)-Induced Excimer Formation of a Naphthalene-Based Fluorescent
 Probe for Living Cell Imaging
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5699
_journal_page_last               5704
_journal_paper_doi               10.1021/ic300130y
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C12 H11 S'
_chemical_formula_weight         187.27
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                90.000(5)
_cell_angle_beta                 97.512(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   17.962(5)
_cell_length_b                   5.784(5)
_cell_length_c                   9.076(5)
_cell_measurement_temperature    293(2)
_cell_volume                     934.8(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1923
_diffrn_reflns_theta_full        26.41
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         2.29
_exptl_absorpt_coefficient_mu    0.290
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_F_000             396
_refine_diff_density_max         0.273
_refine_diff_density_min         -0.241
_refine_diff_density_rms         0.064
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.220
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1923
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.220
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0492
_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^)+(0.0286P)^2^+1.1593P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1089
_refine_ls_wR_factor_ref         0.1144
_reflns_number_gt                1500
_reflns_number_total             1923
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            ic300130y_si_002.cif
_cod_data_source_block           twin4n
_cod_database_code               4329189