Crystallography Open Database

Information card for entry 4118687

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Coordinates	4118687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99 H159 Cl1.1 Si6
Calculated formula	C99 H159 Cl1.1 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	22.01215 ± 0.00014 Å
b	17.63669 ± 0.00011 Å
c	26.02392 ± 0.00017 Å
α	90°
β	95.7157 ± 0.0006°
γ	90°
Cell volume	10052.8 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1284
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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