Crystallography Open Database

Information card for entry 1577460

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Coordinates	1577460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H70.92 Bi2 F13.08 Sb2 Te2
Calculated formula	C72 H70.916 Bi2 F13.084 Sb2 Te2
Title of publication	Bistelluridopnictanes as Gateways to Telluradipnictiranes and a cyclic [Bi2Te2]2+ Dication
Authors of publication	van Halteren, Charlotte E. R.; Wölper, Christoph; Kapp, Leon; Schulz, Stephan
Journal of publication	Chemical Science
Year of publication	2026
a	12.3004 ± 0.0008 Å
b	13.4246 ± 0.0008 Å
c	22.7656 ± 0.0015 Å
α	74.823 ± 0.003°
β	81.902 ± 0.003°
γ	77.265 ± 0.003°
Cell volume	3525 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0409
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0896
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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