Crystallography Open Database

Information card for entry 4112496

Preview

Coordinates	4112496.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrakis(tetrahydrofuran)lithium(I) 1,1,3,3-tetrakis- [di-tert-butyl(methyl)silyl]-1,3-disila-2-gallataallene
Formula	C58 H122 Ga Li O4 Si6
Calculated formula	C58 H122 Ga Li O4 Si6
Title of publication	1,3-Disila-2-gallata- and -indata allenic Anions [>SiMSi<]-.Li+ (M = Ga, In): Compounds Featuring Double Bonds between Elements of Groups 13 and 14
Authors of publication	Norio Nakata; Rika Izumi; Vladimir Ya. Lee; Masaaki Ichinohe; Akira Sekiguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5058 - 5059
a	24.229 ± 0.0012 Å
b	12.077 ± 0.0005 Å
c	24.573 ± 0.0011 Å
α	90°
β	104.763 ± 0.003°
γ	90°
Cell volume	6953 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	0.926
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178895 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/24.	4112496.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112496.cif
64887	2012-08-30	cif/ Adding structures of 4112496 via cif-deposit CGI script.	4112496.cif