Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene as a selective metal cation and proton fluorophore
Xu, Xiao; Xia, Ting; Chen, Xu-Lang; Hao, Xiang; Liang, Tongling; Li, Huan-Rong; Gong, Han-Yuan; New Journal of Chemistry 46 (2022) 11835–11839; doi:10.1039/D2NJ01861F

data_7061535
_publ_section_title
;
 Tetrabenzo[b,de,gh,j][1,10]phenanthroline: a nitrogen-doped nanographene
 as a selective metal cation and proton fluorophore
;
_journal_issue                   24
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11835
_journal_page_last               11839
_journal_paper_doi               10.1039/D2NJ01861F
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C57 H36 Cu F3 N4 O4 S'
_chemical_formula_weight         993.50
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_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2021-12-10 deposited with the CCDC.	2022-05-19 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'XtaLAB Synergy R, HyPix'
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_exptl_absorpt_coefficient_mu    1.759
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
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_refine_ls_extinction_method     none
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_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0598
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0872P)^2^+0.0652P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                5551
_reflns_number_total             6894
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           A_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7061532--7061536.cif.'
_cod_database_code               7061535
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