Information card for entry 4086723

Structure parameters

• Formula: C44 H59 Mg N3
• Calculated formula: C44 H59 Mg N3
• Title of publication: Mechanism of Alkyl Migration in Diorganomagnesium 2,6-Bis(imino)pyridine Complexes: Formation of Grignard-Type Complexes with Square-Planar Mg(II) Centers
• Authors of publication: Sandoval, John J.; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan; Rodríguez-Delgado, Antonio
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 18
• Pages of publication: 3197
• a: 11.6968 ± 0.0016 Å
• b: 16.713 ± 0.002 Å
• c: 23.743 ± 0.003 Å
• α: 90°
• β: 99.003 ± 0.004°
• γ: 90°
• Cell volume: 4584.3 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No