Fabrication of a novel AIE active chemosensor for selective detection of Pd(ii) and picric acid: extended detection in the HeLa cancer cell line
Das, Susmita; Das, Manik; Biswas, Raju; Das, Uttam Kumar; Laha, Soumik; Samanta, Bidhan Chandra; Choudhuri, Indranil; Bhattacharya, Nandan; Maity, Tithi; New Journal of Chemistry 49 (2025) 4021–4034; doi:10.1039/D4NJ04935G

data_7063632
_publ_section_title
;
 Fabrication of a novel AIE active chemosensor for selective detection of
 Pd(ii) and picric acid: extended detection in the HeLa cancer cell line
;
_journal_issue                   10
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4021
_journal_page_last               4034
_journal_paper_doi               10.1039/D4NJ04935G
_journal_volume                  49
_journal_year                    2025
_chemical_formula_sum            'C38 H41 Br N4 O3'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-09-27 deposited with the CCDC.	2025-02-03 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
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_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'BRUKER CCD AREA DETECTOR'
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_diffrn_reflns_Laue_measured_fraction_full 0.988
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Yellow
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_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.6891P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2307
_refine_ls_wR_factor_ref         0.2625
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5606
_reflns_number_total             9990
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4nj04935g2.cif
_cod_data_source_block           mo_RM200723_0m_a
_cod_depositor_comments          'Adding full bibliography for 7063632.cif.'
_cod_database_code               7063632
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.860
_shelx_estimated_absorpt_t_max   0.929
_shelx_res_checksum              47534
_shelx_hkl_checksum              67025