Information card for entry 7706755

Structure parameters

• Formula: C105.39 H180 D22.77 Hf N3 O40.85 P Si3 W9
• Calculated formula: C105.352 H180 D22.704 Hf N3 O40.838 P Si3 W9
• Title of publication: Development of sterically hindered siloxide-functionalized polyoxotungstates for the complexation of 5d-metals.
• Authors of publication: Auvray, Thomas; Nachtigall, Olaf; Brennessel, William W.; Jones, William D.; Matson, Ellen M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 4300 - 4310
• a: 23.6019 ± 0.0002 Å
• b: 19.823 ± 0.0002 Å
• c: 29.51 ± 0.0002 Å
• α: 90°
• β: 95.867 ± 0.001°
• γ: 90°
• Cell volume: 13734.2 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No