Information card for entry 4325123

Structure parameters

• Chemical name: di(Manganese (II) ketimide) Manganese (II) tetrakis(bistert-butyl ketimide)
• Formula: C54 H108 Mn3 N6
• Calculated formula: C54 H108 Mn3 N6
• SMILES: CC(C(=N[Mn]12[N](=C(C(C)(C)C)C(C)(C)C)[Mn]342([N]1=C(C(C)(C)C)C(C)(C)C)[N](=C(C(C)(C)C)C(C)(C)C)[Mn]4(N=C(C(C)(C)C)C(C)(C)C)[N]3=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: 32.201 ± 0.004 Å
• b: 11.2776 ± 0.0015 Å
• c: 22.819 ± 0.003 Å
• α: 90°
• β: 133.615 ± 0.002°
• γ: 90°
• Cell volume: 5999.5 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No