Crystallography Open Database

Information card for entry 1548214

Preview

Coordinates	1548214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H68 Al N7 Te
Calculated formula	C45 H68 Al N7 Te
SMILES	[Te]=[Al](N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(=C1N(C(=C(N1CC)C)C)CC)=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	12.2033 ± 0.0004 Å
b	19.649 ± 0.0007 Å
c	19.497 ± 0.0006 Å
α	90°
β	95.069 ± 0.003°
γ	90°
Cell volume	4656.8 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0717
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1709
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
203599 (current)	2017-11-27	cif/ Adding structures of 1548214 via cif-deposit CGI script.	1548214.cif