A water soluble copper(II) complex as a HSO4- ion selective turn-on fluorescent sensor applicable in living cell imaging
Chattopadhyay, Pabitra; Sen, Buddhadeb; Mukherjee, Manjira; Pal, Siddhartha; Sen, Supriti; RSC Adv.  (2015) –; doi:10.1039/C5RA09121G

data_7220576
_publ_section_title
;
 A water soluble copper(II) complex as a HSO4- ion selective turn-on
 fluorescent sensor applicable in living cell imaging
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA09121G
_journal_year                    2015
_chemical_formula_sum            'C20 H14 Cl Cu N3 O'
_chemical_formula_weight         411.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_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
_audit_update_record
;
2013-07-29 deposited with the CCDC.
2015-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.4250(10)
_cell_angle_beta                 104.9720(10)
_cell_angle_gamma                94.3570(10)
_cell_formula_units_Z            2
_cell_length_a                   8.06690(10)
_cell_length_b                   10.2015(2)
_cell_length_c                   10.8792(2)
_cell_measurement_temperature    296(2)
_cell_volume                     862.07(3)
_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_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0352
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            15679
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.75
_exptl_absorpt_coefficient_mu    1.436
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             418
_refine_diff_density_max         0.680
_refine_diff_density_min         -0.469
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         4147
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0540
_refine_ls_R_factor_gt           0.0364
_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^)+(0.0512P)^2^+0.2721P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0892
_refine_ls_wR_factor_ref         0.0978
_reflns_number_gt                3264
_reflns_number_total             4147
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra09121g2.cif
_cod_data_source_block           PF150
_cod_database_code               7220576