A H-aggregating fluorescent probe for recognizing both mercury and copper ions based on a dicarboxyl-pyridyl bifunctionalized difluoroboron dipyrromethene
Xie, Hao-Ran; Gu, Ya-Qi; Liu, Li; Dai, Jing-Cao; New Journal of Chemistry 44 (2020) 19713–19722; doi:10.1039/D0NJ04124F

data_7060072
_publ_section_title
;
 A H-aggregating fluorescent probe for recognizing both mercury and copper
 ions based on a dicarboxyl-pyridyl bifunctionalized difluoroboron
 dipyrromethene
;
_journal_issue                   45
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              19713
_journal_page_last               19722
_journal_paper_doi               10.1039/D0NJ04124F
_journal_volume                  44
_journal_year                    2020
_chemical_formula_sum            'C34 H30 B F2 N3 O4'
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_audit_update_record
;
2019-05-13 deposited with the CCDC.	2020-10-06 downloaded from the CCDC.
;
_cell_angle_alpha                114.894(8)
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_computing_cell_refinement
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) 
(compiled Aug  2 2013,16:46:58) 
;
_computing_data_collection
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) 
(compiled Aug  2 2013,16:46:58) 
;
_computing_data_reduction
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET) 
(compiled Aug  2 2013,16:46:58) 
;
_computing_molecular_graphics    'Bruker SHELXTL'
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_diffrn_source                   'Enhance (Mo) X-ray Source'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ??Empirical??
_exptl_crystal_colour            'dark orange'
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_exptl_crystal_description       block
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0872P)^2^+0.1364P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1625
_refine_ls_wR_factor_ref         0.2124
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2432
_reflns_number_total             5121
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7060072--7060073.cif.'
_cod_database_code               7060072
_shelx_estimated_absorpt_t_min   0.954
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_shelxl_version_number           2014-3
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