Information card for entry 7204672

Structure parameters

• Formula: C22 H42 N2 O6 Zr
• Calculated formula: C22 H42 N2 O6 Zr
• SMILES: [Zr]12([O]=C(C)C=C(N(CC)CC)O1)([O]=C(C)C=C(N(CC)CC)O2)(OC(C)C)OC(C)C
• Title of publication: Synthesis and structure of mixed isopropoxide–β-ketoester and β-ketoamide zirconium complexes: Potential precursors for MOCVD of ZrO~2~
• Authors of publication: Patil, Urmila; Winter, Manuela; Becker, Hans-Werner; Devi, Anjana
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2003
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 2177 - 2184
• a: 9.3444 ± 0.0015 Å
• b: 16.03 ± 0.003 Å
• c: 17.888 ± 0.003 Å
• α: 90°
• β: 91.768 ± 0.004°
• γ: 90°
• Cell volume: 2678.2 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No