Information card for entry 1512907

Structure parameters

• Common name: (4) [Zr2(m-OPc)2(m-OPri)2(OPri)4]2
• Formula: C52 H112 O20 Zr4
• Calculated formula: C52 H112 O20 Zr4
• SMILES: [Zr]123(OC(C)C)(OC(C)C)OC(=[O][Zr]45([O]([Zr]([O]=C(O5)C(C)C)(OC(C)C)(OC(C)C)(OC(=[O][Zr]([O]2C(C)C)([O]3C(C)C)(OC(=[O]1)C(C)C)(OC(C)C)OC(C)C)C(C)C)[O]4C(C)C)C(C)C)(OC(C)C)OC(C)C)C(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: 11.208 ± 0.002 Å
• b: 12.049 ± 0.002 Å
• c: 14.234 ± 0.003 Å
• α: 85.227 ± 0.003°
• β: 81.458 ± 0.003°
• γ: 67.976 ± 0.003°
• Cell volume: 1761.4 ± 0.6 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: 0.1693
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No