Information card for entry 4127976

Structure parameters

• Formula: H80 O110 Zr25
• Calculated formula: H80 O110 Zr25
• Title of publication: Peroxide-Promoted Disassembly Reassembly of Zr-Polyoxocations.
• Authors of publication: Sommers, James A.; Hutchison, Danielle C.; Martin, Nicolas P.; Kozma, Karoly; Keszler, Douglas A.; Nyman, May
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 42
• Pages of publication: 16894 - 16902
• a: 31.6822 ± 0.0004 Å
• b: 23.4638 ± 0.0002 Å
• c: 27.1118 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20154.5 ± 0.4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No