Information card for entry 7007106

Structure parameters

• Common name: trans-1,2-dibromo-1,2-bis(trimethylsilyl)-ethene
• Chemical name: trans-1,2-dibromo-1,2-bis(trimethylsilyl)-ethene
• Formula: C8 H18 Br2 Si2
• Calculated formula: C8 H18 Br2 Si2
• SMILES: Br/C(=C(Br)\[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthetic and structural studies on C-ethynyl- and C-bromo-carboranes.
• Authors of publication: Fox, Mark A.; Cameron, Audrey M.; Low, Paul J.; Paterson, Michael A. J.; Batsanov, Andrei S.; Goeta, Andrés E; Rankin, David W. H.; Robertson, Heather E.; Schirlin, Julien T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 29
• Pages of publication: 3544 - 3560
• a: 6.498 ± 0.0004 Å
• b: 11.101 ± 0.001 Å
• c: 18.698 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1348.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No