Information card for entry 7000244

Structure parameters

• Formula: C24 H56 O10 Si6 Zr
• Calculated formula: C24 H56 O10 Si6 Zr
• SMILES: C1(=CC(O[Si](C)(C)C)=[O][Zr]2(O1)(O[Si](C)(C)C)([O]=C(C=C(O[Si](C)(C)C)O2)O[Si](C)(C)C)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: 20.1977 ± 0.0011 Å
• b: 12.197 ± 0.0011 Å
• c: 20.2323 ± 0.001 Å
• α: 90°
• β: 106.847 ± 0.007°
• γ: 90°
• Cell volume: 4770.3 ± 0.6 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.745
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No