Crystallography Open Database

Information card for entry 1577461

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Coordinates	1577461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51.5 H54 Sb2 Te
Calculated formula	C51.5 H54 Sb2 Te
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	14.1262 ± 0.0005 Å
b	19.3526 ± 0.0007 Å
c	17.6493 ± 0.0006 Å
α	90°
β	112.256 ± 0.0016°
γ	90°
Cell volume	4465.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0716
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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