Crystallography Open Database

Information card for entry 4106674

Preview

Coordinates	4106674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H45 Li N4 Zn
Calculated formula	C19 H45 Li N4 Zn
Title of publication	Main Group Multiple C-H/N-H Bond Activation of a Diamine and Isolation of A Molecular Dilithium Zincate Hydride: Experimental and DFT Evidence for Alkali Metal-Zinc Synergistic Effects
Authors of publication	Ross Campbell; Daniel Cannon; Pablo García-Álvarez; Alan R. Kennedy; Robert E. Mulvey; Stuart D. Robertson; Jörg Saßmannshausen; Tell Tuttle
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	13706 - 13717
a	17.7379 ± 0.0011 Å
b	11.9358 ± 0.0007 Å
c	11.4315 ± 0.001 Å
α	90°
β	90.061 ± 0.009°
γ	90°
Cell volume	2420.2 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178812 (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 4/10/66.	4106674.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106674.cif
53479	2012-04-20	cif/ Adding structures of 4106674 via cif-deposit CGI script.	4106674.cif