Information card for entry 4079611

Structure parameters

• Formula: C32 H64 Mg2 O4
• Calculated formula: C32 H64 Mg2 O4
• SMILES: [Mg]1([O]2CCCC2)([O]2CCCC2)C(CCC([Mg]([O]2CCCC2)([O]2CCCC2)C(CCC1(C)C)(C)C)(C)C)(C)C
• Title of publication: Synthesis, Crystal Structures, and Solution Behavior of Organomagnesium Derivatives of Alkane-1,4-diide as Well as -1,5-diide
• Authors of publication: Fischer, Reinald; Suxdorf, Regina; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7579
• a: 19.5821 ± 0.0004 Å
• b: 10.7592 ± 0.0002 Å
• c: 18.7599 ± 0.0004 Å
• α: 90°
• β: 116.776 ± 0.001°
• γ: 90°
• Cell volume: 3528.67 ± 0.13 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1948
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No