Crystallography Open Database

Information card for entry 7053007

Preview

Coordinates	7053007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C93 H7 F60
Calculated formula	C93 H7 F60
Title of publication	Isolation and structural characterization of the most highly trifluoromethylated C70 fullerenes: C70(CF3)18 and C70(CF3)20
Authors of publication	Ignat'eva, D. V.; Goryunkov, A. A.; Tamm, N. B.; Ioffe, I. N.; Sidorov, L. N.; Troyanov, S. I.
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	2
Pages of publication	299
a	14.524 ± 0.001 Å
b	21.689 ± 0.001 Å
c	23.545 ± 0.002 Å
α	90°
β	99.168 ± 0.003°
γ	90°
Cell volume	7322.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
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	0.132
Residual factor for significantly intense reflections	0.0863
Weighted residual factors for significantly intense reflections	0.1956
Weighted residual factors for all reflections included in the refinement	0.213
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	0.905 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180084 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30.	7053007.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7053007.cif
73755	2013-02-21	cif/ Adding structures of 7053006, 7053007, 7053008 via cif-deposit CGI script.	7053007.cif