Information card for entry 4325119

Structure parameters

• Chemical name: di(Lithium tetrahydrofuran) Manganese(II) tetrakis(bistert-butyl ketimide)
• Formula: C44 H88 Li2 Mn N4 O2
• Calculated formula: C44 H88 Li2 Mn N4 O2
• SMILES: [Mn]12([N](=C(C(C)(C)C)C(C)(C)C)[Li]([N]1=C(C(C)(C)C)C(C)(C)C)[O]1CCCC1)[N]([Li]([O]1CCCC1)[N]2=C(C(C)(C)C)C(C)(C)C)=C(C(C)(C)C)C(C)(C)C
• Title of publication: Stabilizing High-Valent Metal Ions with a Ketimide Ligand Set: Synthesis of Mn(N=CtBu2)4
• Authors of publication: Richard A. Lewis; Guang Wu; Trevor W. Hayton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4660 - 4668
• a: 12.638 ± 0.004 Å
• b: 19.844 ± 0.007 Å
• c: 19.216 ± 0.007 Å
• α: 90°
• β: 96.517 ± 0.006°
• γ: 90°
• Cell volume: 4788 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0989
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.1847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No