Information card for entry 4345214

Structure parameters

• Formula: C48 H72 O81 Zr12
• Calculated formula: C48 H72 O81 Zr12
• Title of publication: Solution Species and Crystal Structure of Zr(IV) Acetate
• Authors of publication: Hennig, Christoph; Weiss, Stephan; Kraus, Werner; Kretzschmar, Jerome; Scheinost, Andreas C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2017
• a: 12.605 ± 0.002 Å
• b: 12.605 ± 0.002 Å
• c: 13.626 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2165 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No