Crystallography Open Database

Information card for entry 7131044

Preview

Coordinates	7131044.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C32H25AuCl3OP
Formula	C32 H25 Au Cl3 O P
Calculated formula	C32 H25 Au Cl3 O P
SMILES	[Au](Cl)[P](c1c(cccc1)C1(O)c2c(cccc2)c2c1cccc2)(c1ccccc1)c1ccccc1.ClCCl
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	10.8459 ± 0.001 Å
b	12.2003 ± 0.0012 Å
c	12.4897 ± 0.0012 Å
α	96.709 ± 0.002°
β	109.916 ± 0.002°
γ	110.821 ± 0.002°
Cell volume	1398.1 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.026
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.0712
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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	7131044.cif
281324	2023-03-04	cif/ Updating files of 7131043, 7131044, 7131045, 7131046, 7131047 Original log message: Adding full bibliography for 7131043--7131047.cif.	7131044.cif
279613	2022-11-29	cif/ Adding structures of 7131043, 7131044, 7131045, 7131046, 7131047 via cif-deposit CGI script.	7131044.cif