Information card for entry 1550547

Structure parameters

• Formula: C60 H68 Mg2 N4
• Calculated formula: C60 H68 Mg2 N4
• SMILES: [Mg]1(N(c2c(cc(cc2C)C)C)C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)/C(c1ccccc1)=C(/[Mg]1N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)c1ccccc1
• Title of publication: Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis
• Authors of publication: Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 13.659 ± 0.004 Å
• b: 14.429 ± 0.004 Å
• c: 15.718 ± 0.005 Å
• α: 67.851 ± 0.01°
• β: 79.39 ± 0.01°
• γ: 66.344 ± 0.01°
• Cell volume: 2626.1 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.164
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No