Crystallography Open Database

Information card for entry 4118692

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Structure parameters

Formula	C90.75 H139.75 Cl2 Si6
Calculated formula	C90.75 H139.75 Cl2 Si6
Title of publication	Contraction and Expansion of the Silicon Scaffold of Stable Si6R6 Isomers
Authors of publication	Kai Abersfelder; Adam Russell; Henry S. Rzepa; Andrew J. P. White; Peter R. Haycock; David Scheschkewitz
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	16008 - 16016
a	15.8205 ± 0.0004 Å
b	23.724 ± 0.0005 Å
c	25.8774 ± 0.0008 Å
α	74.715 ± 0.002°
β	77.767 ± 0.003°
γ	78.396 ± 0.002°
Cell volume	9046.8 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.184
Residual factor for significantly intense reflections	0.1569
Weighted residual factors for significantly intense reflections	0.4608
Weighted residual factors for all reflections included in the refinement	0.4696
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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