An OFF-ON chemosensor for biological and environmental applications: sensing Cd(2+) in water using catanionic vesicles and in living cells.
Bencini, Andrea; Caddeo, Francesco; Caltagirone, Claudia; Garau, Alessandra; Hurstouse, Mike B.; Isaia, Francesco; Lampis, Sandrina; Lippolis, Vito; Lopez, Francesco; Meli, Valeria; Monduzzi, Maura; Mostallino, Maria Cristina; Murgia, Sergio; Puccioni, Stefano; Schmidt, Judith; Secci, Pietro Paolo; Talmon, Yeshayahu; Organic & biomolecular chemistry 11 (2013) 7751–7759; doi:10.1039/c3ob41420e

data_7153156
_publ_section_title
;
 An OFF-ON chemosensor for biological and environmental applications:
 sensing Cd(2+) in water using catanionic vesicles and in living cells.
;
_journal_issue                   44
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              7751
_journal_page_last               7759
_journal_paper_doi               10.1039/c3ob41420e
_journal_volume                  11
_journal_year                    2013
_chemical_formula_moiety
'C72 H60 Cl6 Cu4 N12 O6 2+, 2(Cl1 O4 1-), (solv)'
_chemical_formula_sum            'C72 H60 Cl8 Cu4 N12 O14'
_chemical_formula_weight         1855.09
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                90.00
_cell_angle_beta                 105.9930(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   61.2255(18)
_cell_length_b                   14.4227(4)
_cell_length_c                   21.9788(7)
_cell_measurement_reflns_used    116124
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     18656.9(10)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean '4096x4096pixels / 62x62mm'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
'Bruker-Nonius APEX II CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_monochromator  '10cm confocal mirrors'
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0688
_diffrn_reflns_av_sigmaI/netI    0.0830
_diffrn_reflns_limit_h_max       70
_diffrn_reflns_limit_h_min       -79
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            88137
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    1.19
_exptl_absorpt_correction_T_max  0.9566
_exptl_absorpt_correction_T_min  0.8502
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'cut prism'
_exptl_crystal_F_000             7520
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_platon_squeeze_details
;
;
_refine_diff_density_max         1.473
_refine_diff_density_min         -0.937
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     901
_refine_ls_number_reflns         21307
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.1530
_refine_ls_R_factor_gt           0.0926
_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^)+(0.1393P)^2^+17.8337P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2389
_refine_ls_wR_factor_ref         0.2701
_reflns_number_gt                11624
_reflns_number_total             21307
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ob41420e.txt
_cod_data_source_block           2007mbh0039
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7153156