Information card for entry 1559559

Structure parameters

• Formula: C96 H184 Hf2 O28 Si14
• Calculated formula: C96 H184 Hf2 O28 Si14
• Title of publication: Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade
• Authors of publication: Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 211 - 218
• a: 20.061 ± 0.004 Å
• b: 24.064 ± 0.005 Å
• c: 27.568 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13308 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No