Crystallography Open Database

Information card for entry 7216577

Preview

Coordinates	7216577.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	diPhAnthracene-C60
Chemical name	Diphenyl anthracene fullerene-C60 complex
Formula	C86 H18
Calculated formula	C86 H18
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	25.2074 ± 0.0016 Å
b	9.8028 ± 0.0006 Å
c	17.4609 ± 0.0011 Å
α	90°
β	94.077 ± 0.001°
γ	90°
Cell volume	4303.7 ± 0.5 Å³
Cell temperature	90 ± 1 K
Ambient diffraction temperature	90 ± 1 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	7216577.cif
116859	2014-06-14	cif/ Adding structures of 7216577, 7216578, 7216579, 7216580 via cif-deposit CGI script.	7216577.cif