Crystallography Open Database

Information card for entry 7111606

Preview

Coordinates	7111606.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3,5-Lithium oxy-1,1,1,2,3,4,5,6,7,7,7-undecamethyl-2,6- bis(trimethylsilyl)-4-(1'lithium oxy-1',2',3',3',3'-pentamethyl-2'- trimethylsilyl-trisilanyl)heptasilane
Chemical name	3,5-Lithium oxy-1,1,1,2,3,4,5,6,7,7,7-undecamethyl-2,6- bis(trimethylsilyl)-4-[1'lithium oxy-1',2',3',3',3'- pentamethyl-2'-trimethylsilyl-trisilanyl]heptasilane
Formula	C50 H150 Li6 O6 Si26
Calculated formula	C50 H150 Li6 O6 Si26
Title of publication	Discrete oxygen containing oligosilane dendrimers—modelling oxygen defects in silicon nanomaterials
Authors of publication	Jäger-Fiedler, U.; Köckerling, M.; Reinke, H.; Krempner, C.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4535 - 4537
a	14.717 ± 0.003 Å
b	26.672 ± 0.005 Å
c	14.985 ± 0.003 Å
α	90°
β	114.75 ± 0.03°
γ	90°
Cell volume	5342 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1088
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	0.861
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111606.cif
96697	2014-01-29	cif/ Adding structures of 7111605, 7111606 via cif-deposit CGI script.	7111606.cif