Intensified electrochemiluminescence and photoluminescence <i>via</i> supramolecular anion recognition interactions.
Cheng, Jun; Yang, Liuqing; Wang, Ruiyao; Wisner, James A.; Ding, Zhifeng; Wang, Hong-Bo; Chemical science 15 (2024) 12291–12300; doi:10.1039/d4sc03338h

data_1572059
_publ_section_title
;
 Intensified electrochemiluminescence and photoluminescence <i>via</i>
 supramolecular anion recognition interactions.
;
_journal_issue                   31
_journal_name_full               'Chemical science'
_journal_page_first              12291
_journal_page_last               12300
_journal_paper_doi               10.1039/d4sc03338h
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C28.75 H27.5 Cl1.5 N4 O2'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2024-05-22 deposited with the CCDC.	2024-07-03 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_diffrn_measurement_device_type  'Bruker PHOTON II CCD'
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_refine_ls_abs_structure_details
; 
 Refined as an inversion twin. 
;
_refine_ls_abs_structure_Flack   0.22(3)
_refine_ls_extinction_coef       0.00015(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_R_factor_all          0.0718
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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^)+(0.0951P)^2^+8.0058P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1557
_refine_ls_wR_factor_ref         0.1731
_reflns_Friedel_coverage         0.999
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                18081
_reflns_number_total             21774
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc03338h2.cif
_cod_data_source_block           rw2132
_cod_depositor_comments          'Adding full bibliography for 1572059.cif.'
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'C28.75 H27.50 Cl1.50 N4 O2'
_cod_database_code               1572059
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.755
_shelx_estimated_absorpt_t_max   0.827
_shelx_res_checksum              81355
_shelx_hkl_checksum              41803