Crystallography Open Database

Information card for entry 4117318

Preview

Coordinates	4117318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H111.5 F3.5 N2 O3 S Si12
Calculated formula	C49.5 H107 F3.5 N2 O3 S Si12
Title of publication	[[(Me3Si)2CH]2iPrSi(NHC)Si=Si(Me)SiiPr[CH(SiMe3)2]2]+: A Molecule with Disilenyl Cation Character
Authors of publication	Torahiko Yamaguchi; Matthew Asay; Akira Sekiguchi
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	886 - 889
a	43.839 ± 0.009 Å
b	12.063 ± 0.003 Å
c	27.251 ± 0.006 Å
α	90°
β	100.738 ± 0.003°
γ	90°
Cell volume	14159 ± 6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1511
Residual factor for significantly intense reflections	0.0636
Weighted residual factors for significantly intense reflections	0.1362
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4117318.cif
74388	2013-02-26	cif/ Adding structures of 4117318 via cif-deposit CGI script.	4117318.cif