A cell permeable Cr3+ selective chemosensor and its application in living cell imaging
Mukherjee, Manjira; Sen, Buddhadeb; Pal, Siddhartha; Hundal, Maninder S.; Mandal, Sushil Kumar; Khuda-Bukhsh, Anisur Rahman; Chattopadhyay, Pabitra; RSC Advances 3 (2013) 19978–; doi:10.1039/c3ra43305f

data_7239177
_publ_section_title
;
 A cell permeable Cr3+ selective chemosensor and its application in living
 cell imaging
;
_journal_issue                   43
_journal_name_full               'RSC Advances'
_journal_page_first              19978
_journal_paper_doi               10.1039/c3ra43305f
_journal_volume                  3
_journal_year                    2013
_chemical_formula_sum            'C24 H21 N5 O5'
_chemical_formula_weight         459.46
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        '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
_cell_angle_beta                 108.458(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.4864(7)
_cell_length_b                   17.5092(11)
_cell_length_c                   10.6207(5)
_cell_measurement_temperature    296(2)
_cell_volume                     2202.5(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_unetI/netI     0.0343
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            13333
_diffrn_reflns_theta_full        24.82
_diffrn_reflns_theta_max         24.82
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    0.1
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.386
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.384
_refine_diff_density_min         -0.245
_refine_diff_density_rms         0.041
_refine_ls_extinction_coef       0.0010(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         3774
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0856
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0678P)^2^+1.2404P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1334
_refine_ls_wR_factor_ref         0.1528
_reflns_number_gt                2539
_reflns_number_total             3774
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ra43305f.txt
_cod_data_source_block           shelxl
_cod_database_code               7239177