Crystallography Open Database

Information card for entry 7709254

Preview

Coordinates	7709254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 Au I N3 O
Calculated formula	C20 H23 Au I N3 O
SMILES	[Au](I)=C1N(C(=C(N1CC)c1ccccc1)c1cnc(OC)cc1)CCC
Title of publication	Investigations of the reactivity, stability and biological activity of halido (NHC)gold(I) complexes.
Authors of publication	Goetzfried, Sina Katharina; Kapitza, Paul; Gallati, Caroline Marie; Nindl, Anna; Cziferszky, Monika; Hermann, Martin; Wurst, Klaus; Kircher, Brigitte; Gust, Ronald
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	4
Pages of publication	1395 - 1406
a	10.2074 ± 0.0002 Å
b	16.3078 ± 0.0004 Å
c	12.9494 ± 0.0003 Å
α	90°
β	99.749 ± 0.001°
γ	90°
Cell volume	2124.43 ± 0.08 Å³
Cell temperature	233 ± 2 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	6
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	0.0356
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0713
Weighted residual factors for all reflections included in the refinement	0.0731
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
272699 (current)	2022-02-04	cif/ Updating files of 7709254 Original log message: Adding full bibliography for 7709254.cif.	7709254.cif
271935	2022-01-07	cif/ Adding structures of 7709254 via cif-deposit CGI script.	7709254.cif