Information card for entry 4088322

Structure parameters

• Formula: C23 H50 Br2 Mg2 O8 Si2
• Calculated formula: C23 H50 Br2 Mg2 O8 Si2
• SMILES: [Mg](Br)([O]1CCOCC1)([O]1CCOCC1)C([Mg](Br)([O]1CCOCC1)[O]1CCOCC1)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Magnesiacycloalkanes with Different Ring Sizes
• Authors of publication: Fischer, Reinald; Görls, Helmar; Langer, Jens; Enke, Marcel; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 587
• a: 10.28 ± 0.0003 Å
• b: 13.6336 ± 0.0004 Å
• c: 12.6894 ± 0.0004 Å
• α: 90°
• β: 104.668 ± 0.002°
• γ: 90°
• Cell volume: 1720.5 ± 0.09 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No