Crystallography Open Database

Information card for entry 4119179

4119178 << 4119179 >> 4119180

Preview

Coordinates	4119179.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H22 S4
Calculated formula	C104 H22 S4
Title of publication	Fullerene/Sulfur-Bridged Annulene Cocrystals: Two-Dimensional Segregated Heterojunctions with Ambipolar Transport Properties and Photoresponsivity
Authors of publication	Jing Zhang; Jiahui Tan; Zhiying Ma; Wei Xu; Guangyao Zhao; Hua Geng; Chong'an Di; Wenping Hu; Zhigang Shuai; Kamaljit Singh; Daoben Zhu
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	558 - 561
a	15.761 ± 0.003 Å
b	14.146 ± 0.003 Å
c	27.681 ± 0.009 Å
α	90°
β	110.48 ± 0.03°
γ	90°
Cell volume	5782 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2233
Residual factor for significantly intense reflections	0.1817
Weighted residual factors for significantly intense reflections	0.3766
Weighted residual factors for all reflections included in the refinement	0.4043
Goodness-of-fit parameter for all reflections included in the refinement	1.189
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178962 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/91.	4119179.cif
103249	2014-02-27	cif/ Adding structures of 4119179 via cif-deposit CGI script.	4119179.cif