Information card for entry 4321859

Structure parameters

• Formula: C40 H80 O10 Zr2
• Calculated formula: C40 H80 O10 Zr2
• Title of publication: Studies on Mixed β-Diketonate/Isopropoxide Compounds of Zirconium and Hafnium, the X-ray Single-Crystal Structures of [M2(OPri)6(tmhd)2] (M = Zr, Hf): Some Chemistry Important in the MOCVD of Oxides
• Authors of publication: Kirsty A. Fleeting; Paul O'Brien; David J. Otway; Andrew J. P. White; David J. Williams; Anthony C. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 1432 - 1437
• a: 10.629 ± 0.002 Å
• b: 11.204 ± 0.002 Å
• c: 11.858 ± 0.002 Å
• α: 69.731 ± 0.012°
• β: 74.412 ± 0.014°
• γ: 71.47 ± 0.012°
• Cell volume: 1235.9 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.1065
• Weighted residual factors for significantly intense reflections: 0.0975
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No