Information card for entry 4079608

Structure parameters

• Formula: C26 H52 Mg2 O4
• Calculated formula: C26 H52 Mg2 O4
• SMILES: [Mg]1([O]2CCCC2)([O]2CCCC2)CCCCC[Mg]([O]2CCCC2)([O]2CCCC2)CCCCC1
• 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: 8.7409 ± 0.0004 Å
• b: 9.3138 ± 0.0004 Å
• c: 9.5751 ± 0.0005 Å
• α: 91.689 ± 0.003°
• β: 114.048 ± 0.002°
• γ: 93.273 ± 0.002°
• Cell volume: 709.51 ± 0.06 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.047
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No