Crystallography Open Database

Information card for entry 7703544

Preview

Coordinates	7703544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H10 Au Cl5 N2
Calculated formula	C7 H10 Au Cl5 N2
SMILES	[Au](Cl)(Cl)(Cl)=C1N(C(Cl)=C(Cl)N1CC)CC
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	8.5971 ± 0.0004 Å
b	14.5741 ± 0.0007 Å
c	10.8547 ± 0.0005 Å
α	90°
β	99.788 ± 0.001°
γ	90°
Cell volume	1340.24 ± 0.11 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	0.0192
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0428
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections included in the refinement	1.197
Diffraction radiation probe	x-ray
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.	7703544.cif
248275	2020-02-19	cif/ Adding structures of 7703541, 7703542, 7703543, 7703544, 7703545, 7703546 via cif-deposit CGI script.	7703544.cif