Crystallography Open Database

Information card for entry 2242573

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Structure parameters

Chemical name	2-Bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane
Formula	C9 H27 Br Si4
Calculated formula	C9 H27 Br Si4
SMILES	Br[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Crystal structures of 2-bromo-1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)trisilane and 2-bromo-1,1,1,3,3,3-hexaisopropyl-2-(triisopropylsilyl)trisilane
Authors of publication	Gulotty, Eva M.; Staples, Richard J.; Biros, Shannon M.; Gaspar, Peter P.; Rath, Nigam P.; Winchester, William R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	8
Pages of publication	1142 - 1146
a	15.6497 ± 0.0019 Å
b	15.6497 ± 0.0019 Å
c	15.6497 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	3832.8 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173.15 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0748
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
209237 (current)	2018-07-24	cif/ hkl/ Adding structures of 2242573, 2242574 via cif-deposit CGI script.	2242573.cif 2242573.hkl