Information card for entry 4126823

Structure parameters

• Formula: C60 H70 Mg2 N4
• Calculated formula: C60 H70 Mg2 N4
• SMILES: [Mg]12(N(C(=CC(=[N]2c2c(cc(cc2C)C)C)C)C)c2c(cc(cc2C)C)C)[CH2](C1(c1ccccc1)c1ccccc1)[Mg]1N(C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Reversible Insertion of a C=C Bond into Magnesium(I) Dimers: Generation of Highly Active 1,2-Dimagnesioethane Compounds.
• Authors of publication: Boutland, Aaron; Carroll, Ashlea; Alvarez Lamsfus, Carlos; Stasch, Andreas; Maron, Laurent; Jones, Cameron
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 16.4521 ± 0.0005 Å
• b: 18.7842 ± 0.0007 Å
• c: 28.0892 ± 0.0011 Å
• α: 96.665 ± 0.001°
• β: 96.453 ± 0.001°
• γ: 111.654 ± 0.001°
• Cell volume: 7899.5 ± 0.5 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: 0.1396
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No