Crystallography Open Database

Information card for entry 1556321

Preview

Coordinates	1556321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Au Cl3 N2
Calculated formula	C12 H12 Au Cl3 N2
SMILES	[Au]1(Cl)(Cl)([n]2c(cccc2c2[n]1c(ccc2)C)C)Cl
Title of publication	Gold(iii)–oxo complexes as catalysts in intramolecular hydroamination
Authors of publication	O'Neill, James A. T.; Rosair, Georgina M.; Lee, Ai-Lan
Journal of publication	Catalysis Science & Technology
Year of publication	2012
Journal volume	2
Journal issue	9
Pages of publication	1818
a	18.108 ± 0.001 Å
b	9.5124 ± 0.0005 Å
c	18.3546 ± 0.0012 Å
α	90°
β	113.59 ± 0.008°
γ	90°
Cell volume	2897.4 ± 0.3 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	0.0199
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0437
Weighted residual factors for all reflections included in the refinement	0.0447
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	Molybdenum
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275434 (current)	2022-05-16	cif/1 Fixing some Z values and formulae	1556321.cif
244213	2019-11-28	cif/ Adding structures of 1556321, 1556322, 1556323 via cif-deposit CGI script.	1556321.cif