Information card for entry 7010760

Structure parameters

• Common name: 1,2-di-butyltetrabromodisilane
• Formula: C8 H18 Br4 Si2
• Calculated formula: C8 H18 Br4 Si2
• SMILES: C(C)(C)(C)[Si](Br)(Br)[Si](C(C)(C)C)(Br)Br
• Title of publication: Molecular structure of ButCl2SiSiCl2But in the gas phase by electron diffraction and ab initio calculations. Molecular structures of the compounds ButX2SiSiX2But (X = Cl, Br or I) by vibrational spectroscopy, X-ray crystallography and ab initio calculations†
• Authors of publication: Hinchley, Sarah L.; Smart, Bruce A.; Morrison, Carole; Robertson, Heather E.; Rankin, David W. H.; Coxall, Robert A.; Parsons, Simon; Zink, Robert; Siegl, Harald; Hassler, Karl; Mawhorter, Richard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2916
• a: 7.072 ± 0.001 Å
• b: 7.637 ± 0.002 Å
• c: 8.827 ± 0.002 Å
• α: 96.49 ± 0.03°
• β: 108.36 ± 0.03°
• γ: 114.02 ± 0.03°
• Cell volume: 397 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0924
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections: 0.1902
• Weighted residual factors for significantly intense reflections: 0.1696
• Goodness-of-fit parameter for all reflections: 1.303
• Goodness-of-fit parameter for significantly intense reflections: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No