Information card for entry 2006514

Structure parameters

• Common name: Bis(trichlorosilyl)ethane
• Chemical name: 1,1,1,4,4,4-Hexachloro-1,4-disilabutane
• Formula: C2 H4 Cl6 Si2
• Calculated formula: C2 H4 Cl6 Si2
• SMILES: C([Si](Cl)(Cl)Cl)C[Si](Cl)(Cl)Cl
• Title of publication: 1,1,1,4,4,4-Hexachloro-1,4-disilabutane
• Authors of publication: Mitzel, Norbert W.; Riede, Jürgen; Schmidbaur, Hubert
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1335 - 1337
• a: 6.231 ± 0.001 Å
• b: 9.447 ± 0.001 Å
• c: 9.394 ± 0.001 Å
• α: 90°
• β: 92.32 ± 0.01°
• γ: 90°
• Cell volume: 552.52 ± 0.12 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.019
• Weighted residual factors for all reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for all reflections: 1.12
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No