Crystallography Open Database

Information card for entry 1573232

Preview

Coordinates	1573232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H5 As S2
Calculated formula	C9 H5 As S2
Title of publication	Dithienoarsinines: Stable and Planer π-Extended Arsabenzenes
Authors of publication	Sumida, Akifumi; Saeki, Akinori; Matsuo, Kyohei; Naka, Kensuke; Imoto, Hiroaki
Journal of publication	Chemical Science
Year of publication	2024
a	6.1248 ± 0.0003 Å
b	11.3296 ± 0.0006 Å
c	12.9122 ± 0.0007 Å
α	90°
β	95.535 ± 0.006°
γ	90°
Cell volume	891.82 ± 0.08 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1573232.html