Information card for entry 4312383

Structure parameters

• Chemical name: Bis(4-methylamino-3-pentene-2-one)bis(ethylamido)zirconium
• Formula: C20 H40 N4 O2 Zr
• Calculated formula: C20 H40 N4 O2 Zr
• SMILES: C1(C)O[Zr]2([N](C)=C(C=1)C)(N(CC)CC)([N](=C(C=C(C)O2)C)C)N(CC)CC
• 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: 9.5357 ± 0.0006 Å
• b: 15.7375 ± 0.0009 Å
• c: 16.7795 ± 0.0011 Å
• α: 90°
• β: 91.661 ± 0.007°
• γ: 90°
• Cell volume: 2517 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No