Solvent dependent ESIPT-based probe for optical recognition of Zr(iv) and Zn(ii)
Shyam, Tandrim; Ghosh, Subhasis; Maji, Sangita; Mandal, Prosenjit; Das, Debasis; New Journal of Chemistry 47 (2023) 14315–14322; doi:10.1039/D3NJ01738A

data_7062594
_publ_section_title
;
 Solvent dependent ESIPT-based probe for optical recognition of Zr(iv) and
 Zn(ii)
;
_journal_issue                   30
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14315
_journal_page_last               14322
_journal_paper_doi               10.1039/D3NJ01738A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_sum            'C25 H30 N2 O'
_chemical_formula_weight         374.51
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-01-23 deposited with the CCDC.	2023-06-06 downloaded from the CCDC.
;
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_diffrn_reflns_Laue_measured_fraction_full 0.997
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_exptl_absorpt_coefficient_mu    0.070
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            YELLOW
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'Re-crystallisation from solvent: Ethanol'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1523
_refine_ls_wR_factor_ref         0.1712
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4061
_reflns_number_total             5372
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3nj01738a2.cif
_cod_data_source_block           TS33_0m_a
_cod_depositor_comments          'Adding full bibliography for 7062594.cif.'
_cod_original_cell_volume        1075.4(16)
_cod_database_code               7062594
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