Crystallography Open Database

Information card for entry 4115395

Preview

Coordinates	4115395.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1,3,3-Tetra-tert-butyl-2-[di-tert-butyl(methyl)silyl]- 1,3-dimethyltrisilane-2-lithium
Formula	C27 H63 Li Si4
Calculated formula	C27 H63 Li Si4
SMILES	[Si]([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Li]
Title of publication	Nearly Planar Nonsolvated Monomeric Silyl- and Germyllithiums as a Result of an Intramolecular CH-Li Agostic Interaction
Authors of publication	Masaaki Nakamoto; Tomohide Fukawa; Vladimir Ya. Lee; Akira Sekiguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	15160 - 15161
a	11.396 ± 0.0005 Å
b	18.121 ± 0.0004 Å
c	16.695 ± 0.0007 Å
α	90°
β	104.52 ± 0.002°
γ	90°
Cell volume	3337.5 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0765
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.18
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
178924 (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 4/11/53.	4115395.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115395.cif
68865	2012-11-21	cif/ Adding structures of 4115395 via cif-deposit CGI script.	4115395.cif