Information card for entry 4310246

Structure parameters

• Formula: Cu5 H45 K10 O90.5 Si2 W18
• Calculated formula: Cu5 K5.75 O90.5 Si2 W18
• Title of publication: Magnetism, Electron Paramagnetic Resonance, Electrochemistry, and Mass Spectrometry of the Pentacopper(II)-Substituted Tungstosilicate [Cu5(OH)4(H2O)2(A-α-SiW9O33)2]10-, A Model Five-Spin Frustrated Cluster
• Authors of publication: Saritha Nellutla; Johan van Tol; Naresh S. Dalal; Li-Hua Bi; Ulrich Kortz; Bineta Keita; Louis Nadjo; Gregory A. Khitrov; Alan G. Marshall
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9795 - 9806
• a: 13.4108 ± 0.0007 Å
• b: 15.5496 ± 0.0008 Å
• c: 24.1156 ± 0.0012 Å
• α: 100.084 ± 0.001°
• β: 101.927 ± 0.001°
• γ: 103.399 ± 0.001°
• Cell volume: 4653.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1787
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No