Crystallography Open Database

Information card for entry 4115398

Preview

Coordinates	4115398.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Lithium tris[di-tert-butyl(methyl)silyl]germanide
Formula	C168 H372 Ge4 Li4 O15 Si12
Calculated formula	C168 H363 Ge4 Li4 O15 Si12
SMILES	C[Si](C(C)(C)C)(C(C)(C)C)[Ge]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C(C)(C)(C)[Si](C(C)(C)C)([Ge]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C[Si](C(C)(C)C)(C(C)(C)C)[Ge]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C.C[Si](C(C)(C)C)(C(C)(C)C)[Ge]([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
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	33.156 ± 0.0006 Å
b	33.156 ± 0.0006 Å
c	32.884 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	31306.9 ± 0.9 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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.	4115398.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115398.cif
68868	2012-11-21	cif/ Adding structures of 4115398 via cif-deposit CGI script.	4115398.cif