Crystallography Open Database

Information card for entry 1548213

Preview

Coordinates	1548213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H72 Al2 N6 Te2
Calculated formula	C54 H72 Al2 N6 Te2
SMILES	[Te]1[Te][Al]23[Al]1([N]2=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N]3=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	A monotopic aluminum telluride with an Al=Te double bond stabilized by N-heterocyclic carbenes
Authors of publication	Franz, Daniel; Szilvasi, Tibor; Irran, Elisabeth; Inoue, Shigeyoshi
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	10037
a	12.4329 ± 0.0002 Å
b	22.915 ± 0.0004 Å
c	19.419 ± 0.0005 Å
α	90°
β	92.861 ± 0.002°
γ	90°
Cell volume	5525.58 ± 0.19 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1839
Residual factor for significantly intense reflections	0.1777
Weighted residual factors for significantly intense reflections	0.4134
Weighted residual factors for all reflections included in the refinement	0.4164
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203598 (current)	2017-11-27	cif/ Adding structures of 1548213 via cif-deposit CGI script.	1548213.cif