A Highly Selective Fluorescent Chemosensor for Zinc Ion and Imaging Application in Living Cells
Uday Chand Saha; Basab Chattopadhyay; Koushik Dhara; Sushil Kumar Mandal; Sandipan Sarkar; Anisur Rahman Khuda-Bukhsh; Monika Mukherjee; Madeleine Helliwell; Pabitra Chattopadhyay; Inorganic Chemistry 50 (2011) 1213–1219; doi:10.1021/ic1015252

data_4324387
_publ_section_title
;
 A Highly Selective Fluorescent Chemosensor for Zinc Ion and Imaging
 Application in Living Cells
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1213
_journal_page_last               1219
_journal_paper_doi               10.1021/ic1015252
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C38 H35 N7 O3'
_chemical_formula_weight         637.73
_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                78.2490(10)
_cell_angle_beta                 83.5250(10)
_cell_angle_gamma                75.9160(10)
_cell_formula_units_Z            2
_cell_length_a                   8.8743(7)
_cell_length_b                   9.7691(8)
_cell_length_c                   19.5884(16)
_cell_measurement_reflns_used    3878
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.29
_cell_measurement_theta_min      2.37
_cell_volume                     1609.0(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0500
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            12873
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.44
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    0.086
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_description       plate
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.394
_refine_diff_density_min         -0.230
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     607
_refine_ls_number_reflns         6486
_refine_ls_number_restraints     120
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0828
_refine_ls_R_factor_gt           0.0639
_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^)+(0.0369P)^2^+1.0186P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1425
_refine_ls_wR_factor_ref         0.1501
_reflns_number_gt                4964
_reflns_number_total             6486
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1015252_si_002.cif
_cod_data_source_block           final
_cod_original_cell_volume        1609.1(2)
_cod_database_code               4324387