Crystallography Open Database

Information card for entry 4079791

Preview

Coordinates	4079791.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H52 Si8
Calculated formula	C18 H52 Si8
SMILES	[Si]1([Si]([Si]([Si]([Si](C)(C)C)([Si](C)(C)C)CC1)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Coupling of Disilane and Trisilane Segments Through Zero, One, Two, and Three Disilanyl Bridges in Cyclic and Bicyclic Saturated Carbosilanes
Authors of publication	Wallner, Andreas; Emanuelsson, Rikard; Baumgartner, Judith; Marschner, Christoph; Ottosson, Henrik
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	2
Pages of publication	396
a	9.2189 ± 0.0018 Å
b	30.807 ± 0.006 Å
c	12.014 ± 0.002 Å
α	90°
β	101.35 ± 0.03°
γ	90°
Cell volume	3345.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
178686 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/97.	4079791.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079791.cif
74061	2013-02-21	cif/ Adding structures of 4079791 via cif-deposit CGI script.	4079791.cif