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_4324388
_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            'C35 H27.5 N8 O8.75 Zn2'
_chemical_formula_weight         830.89
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2010-04-23 # Formatted by publCIF
;
_cell_angle_alpha                90.00
_cell_angle_beta                 91.306(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.770(9)
_cell_length_b                   16.650(12)
_cell_length_c                   17.942(13)
_cell_measurement_reflns_used    5751
_cell_measurement_temperature    150
_cell_measurement_theta_max      25.4998
_cell_measurement_theta_min      1.6175
_cell_volume                     3515(4)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2009)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2009)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD  '
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_details 'CrystalLogic Kappa (3 circle)'
_diffrn_measurement_device_type  'Rigaku Saturn724+'
_diffrn_measurement_method       'dtprofit.ref  '
_diffrn_radiation_monochromator  Si111
_diffrn_radiation_source         'I19 at Diomond Light Source'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.1059
_diffrn_reflns_av_sigmaI/netI    0.0788
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            28300
_diffrn_reflns_theta_full        24.21
_diffrn_reflns_theta_max         24.21
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    1.432
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_description       needle
_exptl_crystal_F_000             1694
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.005
_refine_diff_density_max         0.706
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     527
_refine_ls_number_reflns         6192
_refine_ls_number_restraints     99
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.1275
_refine_ls_R_factor_gt           0.0885
_refine_ls_shift/su_max          0.001
_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^+13.9308P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1820
_refine_ls_wR_factor_ref         0.2045
_reflns_number_gt                4285
_reflns_number_total             6192
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1015252_si_003.cif
_cod_data_source_block           kd2
_cod_original_formula_sum        'C35 H27.50 N8 O8.75 Zn2'
_cod_database_code               4324388