Crystallography Open Database

Information card for entry 7216580

Preview

Coordinates	7216580.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TetraPhEthylene-C60
Chemical name	Tetraphenylehtylene fullerene-C60 complex
Formula	C28 H10
Calculated formula	C28 H10
Title of publication	Molecular complexes of fullerene C60 with aromatic hydrocarbons containing flexible phenyl substituents
Authors of publication	Litvinov, A. L.; Konarev, D. V.; Kovalevsky, A. Yu.; Neretin, I. S.; Slovokhotov, Yu. L.; Coppens, P.; Lyubovskaya, R. N.
Journal of publication	CrystEngComm
Year of publication	2002
Journal volume	4
Journal issue	104
Pages of publication	618
a	10.4757 ± 0.0007 Å
b	32.92 ± 0.002 Å
c	10.3173 ± 0.0007 Å
α	90°
β	118.224 ± 0.002°
γ	90°
Cell volume	3135 ± 0.4 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	2
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0876
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1473
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
180496 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/65.	7216580.cif
116859	2014-06-14	cif/ Adding structures of 7216577, 7216578, 7216579, 7216580 via cif-deposit CGI script.	7216580.cif