Information card for entry 7000241

Structure parameters

• Formula: C27 H36 Hf O16
• Calculated formula: C27 H36 Hf O16
• SMILES: [Hf]1234(OC(=CC(=[O]1)OC)OC)([O]=C(OC)C=C(O2)OC)([O]=C(OC)C=C(O3)OC)OC(=CC(=[O]4)OC)OC.c1cc(ccc1)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: 10.9049 ± 0.0003 Å
• b: 13.6935 ± 0.0005 Å
• c: 21.456 ± 0.0008 Å
• α: 90°
• β: 97.425 ± 0.003°
• γ: 90°
• Cell volume: 3177.08 ± 0.19 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No