Information card for entry 4312380

Structure parameters

• Chemical name: Tetra(2,4-pentadiketiminato)zirconium(IV)
• Formula: C20 H36 N8 Zr
• Calculated formula: C20 H36 N8 Zr
• SMILES: [Zr]1234(NC(=CC(=[NH]1)C)C)([NH]=C(C=C(N2)C)C)(NC(=CC(=[NH]3)C)C)NC(=CC(=[NH]4)C)C
• Title of publication: Volatile β-Ketoiminato- and β-Diketiminato-Based Zirconium Complexes as Potential MOCVD Precursors
• Authors of publication: Pier Luigi Franceschini; Marcus Morstein; Heinz Berke; Helmut W. Schmalle
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7273 - 7282
• a: 20.8142 ± 0.0017 Å
• b: 8.276 ± 0.0005 Å
• c: 29.569 ± 0.002 Å
• α: 90°
• β: 108.79 ± 0.008°
• γ: 90°
• Cell volume: 4822.1 ± 0.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.1788
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No