Crystallography Open Database

Information card for entry 4513942

Preview

Coordinates	4513942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 Au F6 N4 Sb
Calculated formula	C22 H32 Au F6 N4 Sb
SMILES	C(N(C)C)(Nc1c(cccc1C)C)=[Au]=C(N(C)C)Nc1c(cccc1C)C.F[Sb](F)(F)(F)(F)[F-]
Title of publication	Some Singular Features of Gold Catalysis: Protection of Gold(I) Catalysts by Substoichiometric Agents and Associated Phenomena
Authors of publication	Bartolomé, Camino; Ramiro, Zoraida; Peñas-Defrutos, Marconi N.; Espinet, Pablo
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	10
Pages of publication	6537
a	8.4122 ± 0.0004 Å
b	11.7102 ± 0.0005 Å
c	14.7141 ± 0.0006 Å
α	90°
β	103.893 ± 0.004°
γ	90°
Cell volume	1407.06 ± 0.11 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
187883 (current)	2016-11-06	cif/ Updating files of 4513942 Original log message: Adding full bibliography for 4513942.cif.	4513942.cif
186133	2016-09-06	cif/ Adding structures of 4513942 via cif-deposit CGI script.	4513942.cif