Information card for entry 1559556

Structure parameters

• Formula: C68 H156 O28 Si14 Zr2
• Calculated formula: C68 H156 O28 Si14 Zr2
• 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: 13.346 ± 0.002 Å
• b: 17.309 ± 0.003 Å
• c: 23.753 ± 0.004 Å
• α: 86.026 ± 0.002°
• β: 89.28 ± 0.002°
• γ: 76.624 ± 0.002°
• Cell volume: 5325.4 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No