Crystallography Open Database

Information card for entry 7131046

Preview

Coordinates	7131046.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C35H30AuBClF4PS
Formula	C35 H30 Au B Cl F4 P S
Calculated formula	C35 H30 Au B Cl F4 P S
SMILES	[Au]1(Cl)([S]2CCCC2)[P](c2c(cccc2)C21c1c(cccc1)c1c2cccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
Title of publication	A cationic gold-fluorenyl complex with a dative Au → C+ bond: synthesis, structure, and carbophilic reactivity
Authors of publication	Litle, Elishua D.; Gabbaï, François P.
Journal of publication	Chemical Communications
Year of publication	2023
Journal volume	59
Journal issue	5
Pages of publication	603 - 606
a	10.7567 ± 0.0005 Å
b	15.5643 ± 0.0008 Å
c	19.0588 ± 0.001 Å
α	90°
β	105.244 ± 0.002°
γ	90°
Cell volume	3078.6 ± 0.3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0387
Weighted residual factors for all reflections included in the refinement	0.0396
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282621 (current)	2023-04-13	cod/ (saulius@tasmanijos-velnias) Fixing incorrectly parsed author names: codslave 'select file from data where authors like "%\|%"' -NB \| codid2file \| xargs -i sh -c 'DOI=$(awk "/^_journal_paper_doi/ {print \$2}" {}); MRK=$(basename $DOI).mrk; if ! [ -f $MRK ]; then ( set -x; crossref-get-biblio --doi $DOI > $MRK ) fi; head -v $MRK' codslave 'select file from data where authors like "%\|%"' -NB \| codid2file \| xargs -i sh -c 'DOI=$(awk "/^_journal_paper_doi/ {print \$2}" {}); MRK=$(basename $DOI).mrk; set -x; cif_filter --use-all-datablocks --biblio $MRK --fold-title --add-cif-header {} {} \| sponge {}' Commands and program versions: saulius@tasmanijos-velnias restore-biblio/ $ type codslave codslave is aliased to `mysql -u cod_reader -h sql.crystallography.net cod -e' saulius@tasmanijos-velnias restore-biblio/ $ type codid2file codid2file is /home/saulius/scripts/codid2file saulius@tasmanijos-velnias restore-biblio/ $ type cif_filter cif_filter is hashed (/usr/bin/cif_filter) saulius@tasmanijos-velnias restore-biblio/ $ cif_filter --version cod-tools version 2.10	7131046.cif
281324	2023-03-04	cif/ Updating files of 7131043, 7131044, 7131045, 7131046, 7131047 Original log message: Adding full bibliography for 7131043--7131047.cif.	7131046.cif
279613	2022-11-29	cif/ Adding structures of 7131043, 7131044, 7131045, 7131046, 7131047 via cif-deposit CGI script.	7131046.cif