Crystallography Open Database

Information card for entry 7112033

7112032 << 7112033 >> 7112034

Preview

Coordinates	7112033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H27 Li N2
Calculated formula	C13 H27 Li N2
SMILES	[CH2]1=[CH]2C[Li]123[N](C)(C)[C@@H]1CCCC[C@H]1[N]3(C)C
Title of publication	Unexpected structural motifs in diamine coordination compounds with allyllithium
Authors of publication	Prisca K. Eckert; Barbara Schnura; Carsten Strohmann
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2532
a	8.625 ± 0.005 Å
b	12.896 ± 0.005 Å
c	13.322 ± 0.005 Å
α	90°
β	94.61 ± 0.06°
γ	90°
Cell volume	1477 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1318
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.0405
Goodness-of-fit parameter for all reflections included in the refinement	0.81
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
180234 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/20.	7112033.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112033.cif
103355	2014-03-03	cif/ Adding structures of 7112032, 7112033, 7112034 via cif-deposit CGI script.	7112033.cif