Crystallography Open Database

Information card for entry 4067102

Preview

Structure parameters

Formula	C5 H20 Li N5
Calculated formula	C5 H20 Li N5
SMILES	[Li]([NH3])([NH3])([NH3])[NH3].[cH-]1cccc1.N
Title of publication	Unprecedented CpLi Ammoniacates
Authors of publication	Michel, Reent; Herbst-Irmer, Regine; Stalke, Dietmar
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6169
a	24.603 ± 0.004 Å
b	6.886 ± 0.002 Å
c	12.638 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2141.1 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1976
Weighted residual factors for all reflections included in the refinement	0.2015
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4067102.cif
178562	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/71.	4067102.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067102.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067102.cif
34084	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067102 via cif-deposit CGI script.	4067102.cif