Crystallography Open Database

Information card for entry 7233019

Preview

Structure parameters

Formula	C30 H22 N2 S6
Calculated formula	C30 H22 N2 S6
Title of publication	Charge-transfer complexes of sulfur-rich acceptors derived from birhodanines
Authors of publication	Fan, Shuxiang; Kiyota, Yasuhiro; Iijima, Kodai; Ryo, Suho; Kawamoto, Tadashi; Le Gal, Yann; Lorcy, Dominique; Mori, Takehiko
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	35
Pages of publication	5227
a	7.541 ± 0.006 Å
b	8.263 ± 0.006 Å
c	11.632 ± 0.007 Å
α	70.08 ± 0.05°
β	75.07 ± 0.06°
γ	89.43 ± 0.06°
Cell volume	656 ± 0.9 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.1258
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1543
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7233019.html