Crystallography Open Database

Information card for entry 4077611

Preview

Coordinates	4077611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H68 Al2 Li3 N7
Calculated formula	C28 H63 Al2 Li3 N7
SMILES	[Al]123[N]4([Al]5(N([Li]4N1C(C)(C)C)C(C)(C)C)N([Li]1N([Li](N2C(C)(C)C)[N]351C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Entrapment oftert-Butyllithium and Lithiumtert-Butylamide Monomers by Partially Lithiated Derivatives of Aluminum and Gallium Primary Amide Complexes
Authors of publication	Brask, Justin K.; Chivers, Tristram; Schatte, Gabriele; Yap, Glenn P. A.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	26
Pages of publication	5683
a	18.929 ± 0.007 Å
b	10.966 ± 0.004 Å
c	18.59 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3859 ± 2 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1854
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178665 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/76.	4077611.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077611.cif
54642	2012-04-28	cif/ Adding structures of 4077609, 4077610, 4077611 via cif-deposit CGI script.	4077611.cif