Crystallography Open Database

Information card for entry 1548215

Preview

Coordinates	1548215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H104 Al2 N10 Te2
Calculated formula	C72 H104 Al2 N10 Te2
SMILES	[Te]1[Al]([Te][Al]1(N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(=C(N1CC)C)C)CC)(N=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C(=C(N1CC)C)C)CC
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	10.4285 ± 0.0006 Å
b	12.9619 ± 0.0008 Å
c	15.2266 ± 0.0007 Å
α	107.012 ± 0.005°
β	101.576 ± 0.005°
γ	104.722 ± 0.005°
Cell volume	1817.4 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0658
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1504
Weighted residual factors for all reflections included in the refinement	0.1618
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
203600 (current)	2017-11-27	cif/ Adding structures of 1548215 via cif-deposit CGI script.	1548215.cif