Crystallography Open Database

Information card for entry 4110626

Preview

Coordinates	4110626.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	TMS-Si3-Si3-TMS
Chemical name	11,11-dimethyl-1-(11',11'-dimethyl-6'- trimethylsilyl-1',6',11'-trisilabicyclo[4.4.1]undec- 1'-yl)-6-trimethylsilyl-1,6,11- trisilabicyclo[4.4.1]undecane
Formula	C26 H62 Si8
Calculated formula	C26 H62 Si8
Title of publication	all-anti-Octasilane: Conformation Control of Silicon Chains Using the Bicyclic Trisilane as a Building Block
Authors of publication	Aiko Fukazawa; Hayato Tsuji; Kohei Tamao
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	6800 - 6801
a	8.2172 ± 0.0002 Å
b	12.7309 ± 0.0003 Å
c	17.5015 ± 0.0005 Å
α	90°
β	91.193 ± 0.002°
γ	90°
Cell volume	1830.48 ± 0.08 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	3
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	0.0448
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0997
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178877 (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 4/11/06.	4110626.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110626.cif
59426	2012-06-06	cif/ Adding structures of 4110626 via cif-deposit CGI script.	4110626.cif