Information card for entry 7010759

Structure parameters

• Common name: 1,2-di-butyltetrachlorodisilane
• Formula: C8 H18 Cl4 Si2
• Calculated formula: C8 H18 Cl4 Si2
• SMILES: C(C)(C)(C)[Si](Cl)(Cl)[Si](C(C)(C)C)(Cl)Cl
• 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: 6.7183 ± 0.0017 Å
• b: 7.529 ± 0.0019 Å
• c: 8.789 ± 0.002 Å
• α: 94.93 ± 0.04°
• β: 107.6 ± 0.03°
• γ: 112.43 ± 0.04°
• Cell volume: 381.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No