Crystallography Open Database

Information card for entry 4340000

Preview

Coordinates	4340000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C147 H47 Au Cl P3
Calculated formula	C146.999 H47 Au Cl1.00002 P3
Title of publication	Formation of Hexagonal Fullerene Layers from Neutral and Negatively Charged Fullerenes in {(Ph3P)3Au(+)}2(C60(•-))2(C60)·C6H4Cl2 Containing Gold Cations with the C3v Symmetry.
Authors of publication	Konarev, Dmitri V.; Khasanov, Salavat S.; Otsuka, Akihiro; Ishikawa, Manabu; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	13
Pages of publication	6850 - 6855
a	17.176 ± 0.0006 Å
b	17.176 ± 0.0004 Å
c	101.643 ± 0.011 Å
α	90°
β	90 ± 0.002°
γ	120 ± 0.008°
Cell volume	25969 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179503 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/00.	4340000.cif
121146	2014-08-05	cif/ Updating files of 4340000 Original log message: Adding full bibliography for 4340000.cif.	4340000.cif
117896	2014-06-20	cif/ Adding structures of 4340000 via cif-deposit CGI script.	4340000.cif