Information card for entry 4321860

Structure parameters

• Formula: C40 H80 Hf2 O10
• Calculated formula: C40 H80 Hf2 O10
• 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: 10.5798 ± 0.0011 Å
• b: 11.1755 ± 0.0014 Å
• c: 11.8443 ± 0.0013 Å
• α: 69.369 ± 0.009°
• β: 74.17 ± 0.009°
• γ: 71.405 ± 0.01°
• Cell volume: 1221.7 ± 0.3 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: 0.0527
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.0922
• Goodness-of-fit parameter for all reflections: 1.03
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No