Crystallography Open Database

Information card for entry 1577459

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Coordinates	1577459.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H35 As Te2
Calculated formula	C36 H35 As 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	11.9529 ± 0.0004 Å
b	19.5673 ± 0.0006 Å
c	28.2861 ± 0.0009 Å
α	96.925 ± 0.001°
β	98.6414 ± 0.0009°
γ	95.1077 ± 0.0009°
Cell volume	6454.1 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0391
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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