Information card for entry 4312381

Structure parameters

• Chemical name: Bis(4-N-methylimino-2-N-methylamino-2-pentene)bis(dimethylamido) zirconium(IV)
• Formula: C18 H38 N6 Zr
• Calculated formula: C18 H38 N6 Zr
• SMILES: [Zr]12([N](=C(C=C(N1C)C)C)C)([N](=C(C=C(N2C)C)C)C)(N(C)C)N(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: 9.9555 ± 0.0006 Å
• b: 13.3024 ± 0.0008 Å
• c: 16.7272 ± 0.0011 Å
• α: 90°
• β: 100.539 ± 0.007°
• γ: 90°
• Cell volume: 2177.8 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0322
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No