Crystallography Open Database

Information card for entry 4108611

Preview

Coordinates	4108611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H76 Li4 N8
Calculated formula	C32 H76 Li4 N8
SMILES	C(C)[N]1(CC)CC[N]23(CC)[Li]41[N](CC)(CC)CC[N]4(CC)[Li]2[N]12(CC)[Li]3[N]3(CC)[Li]2([N](CC)(CC)CC3)[N](CC)(CC)CC1
Title of publication	Lithiation of TMEDA and its Higher Homologous TEEDA: Understanding Observed α- and β-Deprotonation
Authors of publication	Viktoria H. Gessner; Carsten Strohmann
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	14412 - 14413
a	9.0546 ± 0.0018 Å
b	14.205 ± 0.003 Å
c	17.048 ± 0.004 Å
α	107.979 ± 0.005°
β	97.871 ± 0.005°
γ	102.869 ± 0.006°
Cell volume	1982.6 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1719
Weighted residual factors for all reflections included in the refinement	0.1903
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
178832 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/86.	4108611.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108611.cif
56976	2012-05-16	cif/ Adding structures of 4108611 via cif-deposit CGI script.	4108611.cif