Anion-π interaction with alkenes: persistent complexes <i>vs.</i> irreversible reactions of anions with tetracyanoethylene.
Odubo, Favour E.; Muthuramesh, Snehashree; Zeller, Matthias; Rosokha, Sergiy V.; Physical chemistry chemical physics : PCCP 26 (2024) 21030–21039; doi:10.1039/d4cp02573c

data_7249080
_publ_section_title
;
 Anion-&#x3c0; interaction with alkenes: persistent complexes <i>vs.</i>
 irreversible reactions of anions with tetracyanoethylene.
;
_journal_issue                   31
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              21030
_journal_page_last               21039
_journal_paper_doi               10.1039/d4cp02573c
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C19 H18 P, C6 N4, Br'
_chemical_formula_sum            'C25 H18 Br N4 P'
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;
2024-05-05 deposited with the CCDC.	2024-07-22 downloaded from the CCDC.
;
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;  
SHELXL-2019/2 (Sheldrick, 2015a, 2019), 
SHELXLE Rev1573 (H\"ubschle et al., 2011)
;
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'PhotonII charge-integrating pixel array (CPAD)'
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_diffrn_source                   'fine focus sealed tube X-ray source'
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_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            red
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0263P)^2^+0.3971P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0630
_refine_ls_wR_factor_ref         0.0684
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7045
_reflns_number_total             8967
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cp02573c2.cif
_cod_data_source_block           RS237_0m
_cod_depositor_comments
'Adding full bibliography for 7249077--7249082.cif.'
_cod_database_code               7249080
_shelx_shelxl_version_number     2019/3
_shelx_estimated_absorpt_t_min   0.542
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_shelx_res_checksum              23232