Information card for entry 7235120

Structure parameters

• Formula: C29 H60 N4 O3 Zr
• Calculated formula: C29 H60 N4 O3 Zr
• Title of publication: Homoleptic zirconium amidates: single source precursors for the aerosol-assisted chemical vapour deposition of ZrO2
• Authors of publication: Amanda L. Catherall; Michael S. Hill; Andrew L. Johnson; Gabriele Kociok-Kohn; Mary F. Mahon
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 10731 - 10739
• a: 10.8077 ± 0.0005 Å
• b: 17.3778 ± 0.0008 Å
• c: 18.139 ± 0.0009 Å
• α: 90°
• β: 90.09 ± 0.004°
• γ: 90°
• Cell volume: 3406.8 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.071
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No