Information card for entry 1550552

Structure parameters

• Formula: C56 H62 Mg2 N4
• Calculated formula: C56 H62 Mg2 N4
• SMILES: [Mg]12(N(c3c(cccc3C)C)C(=CC(=[N]1c1c(cccc1C)C)C)C)C(c1ccccc1)(c1ccccc1)[CH2]2[Mg]1N(C(=CC(=[N]1c1c(cccc1C)C)C)C)c1c(cccc1C)C
• 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: 18.7478 ± 0.001 Å
• b: 12.7752 ± 0.0009 Å
• c: 20.4162 ± 0.001 Å
• α: 90°
• β: 100.287 ± 0.005°
• γ: 90°
• Cell volume: 4811.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No