Information card for entry 4086721

Structure parameters

• Formula: C35 H49 Mg N3
• Calculated formula: C35 H49 Mg N3
• SMILES: [Mg]12([N]3(C(=C(N1c1c(cc(cc1C)C)C)C)C=CC=C3C(=[N]2c1c(cc(cc1C)C)C)C)CCCC)CCCC
• 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: 16.136 ± 0.009 Å
• b: 12.187 ± 0.007 Å
• c: 15.831 ± 0.007 Å
• α: 90°
• β: 90.942 ± 0.015°
• γ: 90°
• Cell volume: 3113 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1114
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No