Information card for entry 4310301

Structure parameters

• Formula: As2 Cu4 H23 K9 Na O77.5 W18
• Calculated formula: As2 Cu4 K9 Na O77.52 W18
• Title of publication: Structure and Magnetism of the Tetra-Copper(II)-Substituted Heteropolyanion [Cu4K2(H2O)8(α-AsW9O33)2]8-
• Authors of publication: Ulrich Kortz; Saritha Nellutla; Ashley C. Stowe; Naresh S. Dalal; Johan van Tol; Bassem S. Bassil
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 144 - 154
• a: 16.705 ± 0.004 Å
• b: 16.705 ± 0.004 Å
• c: 13.956 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3894.5 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No