Crystallography Open Database

Information card for entry 4112813

Preview

Coordinates	4112813.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetrakis(tetrahydrofuran)lithium(I) 1,1,4,4-tetra-tert-butyl -2,3-Tetrakis[di-tert-butyl(methyl)silyl]-1,4-dimethyltetrasilane-2-yl-3-ide
Formula	C52 H116 Li O4 Si6
Calculated formula	C52 H116 Li O4 Si6
Title of publication	Isolable Anion Radical of Blue Disilene (tBu2MeSi)2SiSi(SiMetBu2)2 Formed upon One-Electron Reduction: Synthesis and Characterization
Authors of publication	Akira Sekiguchi; Shigeyoshi Inoue; Masaaki Ichinohe; Yoriko Arai
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	9626 - 9629
a	12.072 ± 0.0003 Å
b	21.567 ± 0.001 Å
c	24.25 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6313.7 ± 0.4 Å³
Cell temperature	200 ± 0.1 K
Ambient diffraction temperature	200 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1514
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
178899 (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 4/11/28.	4112813.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112813.cif
65229	2012-09-05	cif/ Adding structures of 4112813 via cif-deposit CGI script.	4112813.cif