A two-in-one dual channel chemosensor for Fe3+ and Cu2+ with nanomolar detection mimicking the IMPLICATION logic gate
Anil Kuwar; Rahul Patil; Amanpreet Singh; Suban K. Sahoo; Jaromir Marek; Narinder Singh; Journal of Materials Chemistry C 3 (2015) 453–460; doi:10.1039/C4TC02147A

data_7233997
_publ_section_title
;
 A two-in-one dual channel chemosensor for Fe3+ and Cu2+ with nanomolar
 detection mimicking the IMPLICATION logic gate
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              453
_journal_page_last               460
_journal_paper_doi               10.1039/C4TC02147A
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'C30 H30 N O'
_chemical_formula_weight         420.55
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                79.75(3)
_cell_angle_beta                 87.94(3)
_cell_angle_gamma                89.29(3)
_cell_formula_units_Z            2
_cell_length_a                   7.7300(15)
_cell_length_b                   11.040(2)
_cell_length_c                   14.680(3)
_cell_measurement_temperature    120(2)
_cell_volume                     1232.0(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_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  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13118
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    0.068
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             450
_refine_diff_density_max         0.342
_refine_diff_density_min         -0.320
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.143
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     323
_refine_ls_number_reflns         4253
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.143
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0730
_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^)+(0.0891P)^2^+2.6343P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2305
_refine_ls_wR_factor_ref         0.2338
_reflns_number_gt                3622
_reflns_number_total             4253
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2015-3-453.cif
_cod_data_source_block           in3
_cod_original_cell_volume        1231.9(4)
_cod_database_code               7233997