Crystallography Open Database

Information card for entry 7703545

Preview

Coordinates	7703545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H10 Au Cl3 N2
Calculated formula	C9 H10 Au Cl3 N2
SMILES	[Au](Cl)(Cl)(Cl)=C1N(C)c2ccccc2N1C
Title of publication	Organometallic chemistry in aqua regia: metal and ligand based oxidations of (NHC)AuCl complexes.
Authors of publication	Levchenko, Volodymyr; Glessi, Cristiano; Øien-Ødegaard, Sigurd; Tilset, Mats
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	11
Pages of publication	3473 - 3479
a	7.793 ± 0.005 Å
b	13.984 ± 0.009 Å
c	11.539 ± 0.007 Å
α	90°
β	100.78 ± 0.02°
γ	90°
Cell volume	1235.3 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
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	0.0303
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0505
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
250308 (current)	2020-04-05	cif/ Updating files of 7703541, 7703542, 7703543, 7703544, 7703545, 7703546 Original log message: Adding full bibliography for 7703541--7703546.cif.	7703545.cif
248275	2020-02-19	cif/ Adding structures of 7703541, 7703542, 7703543, 7703544, 7703545, 7703546 via cif-deposit CGI script.	7703545.cif