Information card for entry 1512909

Structure parameters

• Common name: (6) Zr2(ONc)(HONc)(OPRi)7
• Formula: C33 H71 O11 Zr2
• Calculated formula: C33 H71 O11 Zr2
• SMILES: [Zr]12([O]([Zr]([O]1C(C)C)([O]=C(O2)CC(C)(C)C)(OC(C)C)(OC(C)C)OC(=O)CC(C)(C)C)C(C)C)(OC(C)C)(OC(C)C)OC(C)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: 9.644 ± 0.005 Å
• b: 13.548 ± 0.007 Å
• c: 18.337 ± 0.009 Å
• α: 82.959 ± 0.007°
• β: 77.981 ± 0.008°
• γ: 71.51 ± 0.007°
• Cell volume: 2218 ± 2 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: 0.2225
• Residual factor for significantly intense reflections: 0.1179
• Weighted residual factors for significantly intense reflections: 0.2126
• Weighted residual factors for all reflections included in the refinement: 0.2566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No