Crystallography Open Database

Information card for entry 4115650

Preview

Coordinates	4115650.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H70 Cl16 N6 Si8
Calculated formula	C28 H70 Cl16 N6 Si8
SMILES	[Si]1([Si]([Si]([Si]([Si]([Si]1(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl.[SiH2]12([N+](CC[N]1(CC[N]2(CC)CC)CC)(CC)CC)Cl.[SiH2]12([N+](CC[N]1(CC[N]2(CC)CC)CC)(CC)CC)Cl.[Cl-].[Cl-]
Title of publication	Amine-Promoted Disproportionation and Redistribution of Trichlorosilane: Formation of Tetradecachlorocyclohexasilane Dianion1
Authors of publication	Seok-Bong Choi; Beon-Kyu Kim; Philip Boudjouk; Dean G. Grier
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	8117 - 8118
a	19.7106 ± 0.0018 Å
b	22.1508 ± 0.0019 Å
c	27.13 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	11845.1 ± 1.7 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1329
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1579
Weighted residual factors for all reflections included in the refinement	0.1967
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178927 (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 4/11/56.	4115650.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115650.cif
69323	2012-12-11	cif/ Adding structures of 4115650 via cif-deposit CGI script.	4115650.cif