Information card for entry 7000245

Structure parameters

• Formula: C44 H76 Hf O16
• Calculated formula: C44 H76 Hf O16
• SMILES: C1(=CC(OC(C)(C)C)=[O][Hf]234(O1)([O]=C(OC(C)(C)C)C=C(O2)OC(C)(C)C)(OC(=CC(=[O]4)OC(C)(C)C)OC(C)(C)C)OC(=CC(OC(C)(C)C)=[O]3)OC(C)(C)C)OC(C)(C)C
• Title of publication: Monomeric malonate precursors for the MOCVD of HfO2 and ZrO2 thin films
• Authors of publication: Pothiraja, Ramasamy; Milanov, Andrian; Parala, Harish; Winter, Manuela; Fischer, Roland A.; Devi, Anjana
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 4
• Pages of publication: 654
• a: 14.7752 ± 0.0003 Å
• b: 14.7752 ± 0.0003 Å
• c: 23.5966 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5151.3 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.675
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No