Crystallography Open Database

Information card for entry 4329336

Preview

Coordinates	4329336.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Nonachloromesitylcyclopentasilane?
Formula	C9 H11 Cl9 Si5
Calculated formula	C9 H11 Cl9 Si5
SMILES	[Si]1([Si]([Si]([Si]([Si]1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)c1c(cc(cc1C)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	11.8326 ± 0.0008 Å
b	22.1445 ± 0.0015 Å
c	8.6689 ± 0.0006 Å
α	90°
β	92.067 ± 0.002°
γ	90°
Cell volume	2270 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0319
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0799
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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.	4329336.cif
78385	2013-04-02	cif/ Adding structures of 4329336 via cif-deposit CGI script.	4329336.cif