Information card for entry 1569432

Structure parameters

• Formula: C28 H50 O37 Zr6
• Calculated formula: C28 H50 O37 Zr6
• Title of publication: Acetate exchange mechanism on a Zr₁₂ oxo hydroxo cluster: relevance for reshaping Zr-carboxylate coordination adaptable networks.
• Authors of publication: Murali, Meenu; Bijani, Christian; Daran, Jean-Claude; Manoury, Eric; Poli, Rinaldo
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 30
• Pages of publication: 8152 - 8163
• a: 12.5024 ± 0.0001 Å
• b: 16.6275 ± 0.0002 Å
• c: 17.2067 ± 0.0002 Å
• α: 100.567 ± 0.001°
• β: 109.891 ± 0.001°
• γ: 104.994 ± 0.001°
• Cell volume: 3100.64 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No