Information card for entry 2218992

Structure parameters

• Chemical name: Tris(<i>tert</i>-butyl isocyanide-κ<i>C</i>)carbonylnickel(0)
• Formula: C16 H27 N3 Ni O
• Calculated formula: C16 H27 N3 Ni O
• SMILES: [Ni](C#[O])(C#[N]C(C)(C)C)(C#[N]C(C)(C)C)C#[N]C(C)(C)C
• Title of publication: Tris(<i>tert</i>-butyl isocyanide-κ<i>C</i>)carbonylnickel(0)
• Authors of publication: Imhof, Wolfgang; Görls, Helmar; Halbauer, Kathi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1000
• a: 17.1621 ± 0.0007 Å
• b: 14.5687 ± 0.0005 Å
• c: 17.1627 ± 0.0007 Å
• α: 90°
• β: 113.179 ± 0.003°
• γ: 90°
• Cell volume: 3944.8 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.1291
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes