Information card for entry 7117809

Structure parameters

• Formula: C74.1 H109.2 Mg2 N6
• Calculated formula: C74.1 H108.1 Mg2 N6
• Title of publication: Magnesium-catalysed hydroboration of isonitriles
• Authors of publication: Catherine Weetman; Michael S. Hill; Mary F. Mahon
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14477
• a: 18.9579 ± 0.0008 Å
• b: 19.7413 ± 0.0009 Å
• c: 18.7107 ± 0.0008 Å
• α: 90°
• β: 99.765 ± 0.004°
• γ: 90°
• Cell volume: 6901.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1157
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No