Crystallography Open Database

Information card for entry 4329337

Preview

Coordinates	4329337.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(4-t-Butyl-2,6-dimethylphenyl)nonachloro-cyclopentasilane
Formula	C12 H17 Cl9 Si5
Calculated formula	C12 H17 Cl9 Si5
SMILES	[Si]1([Si]([Si]([Si]([Si]1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)c1c(cc(cc1C)C(C)(C)C)C
Title of publication	Partial Halogenation of Cyclic and Branched Perhydropentasilanes
Authors of publication	Harald Stueger; Thomas Mitterfellner; Roland Fischer; Christoph Walkner; Matthias Patz; Stephan Wieber
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6173 - 6179
a	9.2711 ± 0.0003 Å
b	11.4701 ± 0.0004 Å
c	13.3919 ± 0.0005 Å
α	66.415 ± 0.001°
β	84.353 ± 0.001°
γ	84.666 ± 0.001°
Cell volume	1296.56 ± 0.08 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179396 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/93.	4329337.cif
78386	2013-04-02	cif/ Adding structures of 4329337 via cif-deposit CGI script.	4329337.cif