Crystallography Open Database

Information card for entry 7245942

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Coordinates	7245942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H6 N12 S6 Se3
Calculated formula	C21 H6 N12 S6 Se3
Title of publication	New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes
Authors of publication	Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	3
Pages of publication	391 - 402
a	7.3298 ± 0.0002 Å
b	7.8942 ± 0.0003 Å
c	26.3901 ± 0.0009 Å
α	95.969 ± 0.001°
β	92.984 ± 0.001°
γ	90.116 ± 0.001°
Cell volume	1516.63 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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