Crystallography Open Database

Information card for entry 7060936

Preview

Coordinates	7060936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 Au Cl N2 O
Calculated formula	C13 H16 Au Cl N2 O
Title of publication	A green approach for A3-coupling reactions: an experimental and theoretical study on NHC silver and gold catalysts
Authors of publication	Costabile, Chiara; Mariconda, Annaluisa; Sirignano, Marco; Crispini, Alessandra; Scarpelli, Francesca; Longo, Pasquale
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	39
Pages of publication	18509 - 18517
a	9.012 ± 0.003 Å
b	10.387 ± 0.004 Å
c	16.294 ± 0.005 Å
α	90°
β	105.724 ± 0.013°
γ	90°
Cell volume	1468.2 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0208
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0378
Weighted residual factors for all reflections included in the refinement	0.0391
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
270484 (current)	2021-11-06	cif/ Updating files of 7060936 Original log message: Adding full bibliography for 7060936.cif.	7060936.cif
268281	2021-08-29	cif/ Adding structures of 7060936 via cif-deposit CGI script.	7060936.cif