Information card for entry 1512908

Structure parameters

• Common name: (5) Zr2(OBc)(OPri)7(HOPri)*(HOPri)
• Formula: C32 H74 O11 Zr2
• Calculated formula: C32 H74 O11 Zr2
• SMILES: CC(O[Zr]12(OC(C)C)(OC(C)C)OC(O[Zr]([O]1C(C)C)([O]2C(C)C)([OH]C(C)C)(OC(C)C)OC(C)C)C(C)(C)C)C.CC(O)C
• Title of publication: Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films
• Authors of publication: Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez
• Journal of publication: Polyhedron
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 13
• Pages of publication: 1727 - 1738
• a: 12.737 ± 0.003 Å
• b: 12.943 ± 0.003 Å
• c: 15.756 ± 0.004 Å
• α: 76.786 ± 0.004°
• β: 86.427 ± 0.004°
• γ: 61.086 ± 0.003°
• Cell volume: 2209.9 ± 0.9 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 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: 0.0716
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No