Information card for entry 7000240

Structure parameters

• Formula: C36 H76 Hf O16 Si8
• Calculated formula: C36 H76 Hf O16 Si8
• SMILES: C1(=[O][Hf]234(OC(=CC(=[O]2)O[Si](C)(C)C)O[Si](C)(C)C)(OC(=C1)O[Si](C)(C)C)(OC(=CC(=[O]3)O[Si](C)(C)C)O[Si](C)(C)C)[O]=C(C=C(O[Si](C)(C)C)O4)O[Si](C)(C)C)O[Si](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: 20.2381 ± 0.0006 Å
• b: 20.2381 ± 0.0006 Å
• c: 14.2483 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5835.8 ± 0.3 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No