Crystallography Open Database

Information card for entry 7131029

Preview

Coordinates	7131029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H19 Co N6 O6
Calculated formula	C7 H19 Co N6 O6
Title of publication	An optically reversible room-temperature solid-state cobalt(iii) photoswitch based on nitro-to-nitrito linkage isomerism
Authors of publication	Deresz, Krystyna A.; Kamiński, Radosław; Kutniewska, Sylwia E.; Krówczyński, Adam; Schaniel, Dominik; Jarzembska, Katarzyna N.
Journal of publication	Chemical Communications
Year of publication	2022
Journal volume	58
Journal issue	97
Pages of publication	13439 - 13442
a	12.7442 ± 0.0006 Å
b	10.7342 ± 0.0005 Å
c	9.7366 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1331.96 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0776
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.1581
Goodness-of-fit parameter for significantly intense reflections	2.36
Goodness-of-fit parameter for all reflections included in the refinement	2.25
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 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	7131029.cif
279571	2022-11-26	cif/ Adding structures of 7131029, 7131030, 7131031, 7131032, 7131033, 7131034, 7131035 via cif-deposit CGI script.	7131029.cif