Crystallography Open Database

Information card for entry 7712466

Preview

Coordinates	7712466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H50 N8 Zn3
Calculated formula	C54 H50 N8 Zn3
SMILES	C[Zn]12[N]3(C=[N](c4ccccc4)[Zn]4(C)[N](C=[N]1c1ccccc1)(c1ccccc1)[Zn]3(N(C=[N]2c1ccccc1)c1ccccc1)N(C=[N]4c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Factors controlling the structure of alkylzinc amidinates: on the role of N-substituents
Authors of publication	Terlecki, Michał; Justyniak, Iwona; Leszczyński, Michał K.; Bernatowicz, Piotr; Lewiński, Janusz
Journal of publication	Dalton Transactions
Year of publication	2023
Journal volume	52
Journal issue	9
Pages of publication	2712 - 2721
a	18.5634 ± 0.0003 Å
b	24.5535 ± 0.0004 Å
c	22.3642 ± 0.0004 Å
α	90°
β	107.018 ± 0.002°
γ	90°
Cell volume	9747.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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	7712466.cif
281199	2023-03-01	cif/ Adding structures of 7712466, 7712467, 7712468, 7712469 via cif-deposit CGI script.	7712466.cif