Crystallography Open Database

Information card for entry 7228717

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Coordinates	7228717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 As3 Cl2 N S6
Calculated formula	C22 H20 As3 Cl2 N S6
Title of publication	Supramolecular Aggregation in Dithia-arsoles: Chlorides, Cations and N-centered Paddlewheels
Authors of publication	Tran, Thao Thi-Phuong; Ould, Darren; Wilkins, Lewis; Wright, Dominic S.; Melen, Rebecca; Rawson, Jeremy Michael
Journal of publication	CrystEngComm
Year of publication	2017
a	11.221 ± 0.008 Å
b	11.615 ± 0.008 Å
c	11.965 ± 0.008 Å
α	76.144 ± 0.008°
β	67.962 ± 0.007°
γ	87.166 ± 0.008°
Cell volume	1402 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1091
Residual factor for significantly intense reflections	0.0806
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1.203
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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