Information card for entry 7204313

Structure parameters

• Formula: C18 H40 O6 Zr
• Calculated formula: C18 H40 O6 Zr
• Title of publication: Novel mononuclear zirconium and hafnium alkoxides; improved precursors for the MOCVD of ZrO2 and HfO2
• Authors of publication: Williams, Paul A.; Roberts, John L.; Jones, Anthony C.; Chalker, Paul R.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 165
• a: 10.297 ± 0.0012 Å
• b: 10.7861 ± 0.0012 Å
• c: 21.258 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2361 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No