Crystallography Open Database

Information card for entry 7233855

Preview

Coordinates	7233855.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(TTF1)(C60)(CS2)
Chemical name	(TTF1)(C60)(CS2)
Formula	C95 H28 O4 S10
Calculated formula	C95 H28 O4 S10
Title of publication	Inclusion complexes of fullerenes with flexible tetrathiafulvalene derivatives bearing four aryls through sulfur bridges
Authors of publication	Jibin Sun; Xiaofeng Lu; Manabu Ishikawa; Yoshiaki Nakano; Shangxi Zhang; Jinlian Zhao,; Yongliang Shao; Zhaohui Wang; Hideki Yamochi; Xiangfeng Shao
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	8071 - 8076
a	10.283 ± 0.004 Å
b	10.34 ± 0.004 Å
c	16.018 ± 0.007 Å
α	103.299 ± 0.005°
β	104.031 ± 0.005°
γ	100.895 ± 0.007°
Cell volume	1553 ± 1.1 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0578
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	0.981
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218301 (current)	2019-09-16	cif/ Adding structures of 7233855 via cif-deposit CGI script.	7233855.cif