Crystallography Open Database

Information card for entry 7053237

Preview

Coordinates	7053237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H36 Li N3 Zn
Calculated formula	C17 H36 Li N3 Zn
SMILES	[Zn]1([N]2(C(CCCC2(C)C)(C)C)[Li]2[N](CC[N]2(C)C)(C1)C)C=C
Title of publication	Taming the shrew: [TMEDALi-Zn(C2H4)2L] as a model compound for anionic ethene polymerisation
Authors of publication	Saßmannshausen, Jörg; Klett, Jan; Kennedy, Alan R.; Parkinson, John A.; Armstrong, David
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	2
Pages of publication	494
a	10.3386 ± 0.0006 Å
b	10.3386 ± 0.0006 Å
c	37.798 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4040.1 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	92
Hermann-Mauguin space group symbol	P 41 21 2
Hall space group symbol	P 4abw 2nw
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
180086 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/32.	7053237.cif
91417	2013-12-13	cif/ Adding structures of 7053236, 7053237 via cif-deposit CGI script.	7053237.cif