Information card for entry 4307590

Structure parameters

• Common name: Compound DL152
• Formula: C64 H146 N7 O60 S2 W18
• Calculated formula: C58.2 H103.9 N5.6 O60 S2 W18
• Title of publication: Structural, Electrochemical, and Spectroscopic Characterization of a Redox Pair of Sulfite-Based Polyoxotungstates: α-[W18O54(SO3)2]4- and α-[W18O54(SO3)2]5-
• Authors of publication: Nigel Fay; Alan M. Bond; Carole Baffert; John F. Boas; John R. Pilbrow; De-Liang Long; Leroy Cronin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3502 - 3510
• a: 16.4863 ± 0.0012 Å
• b: 22.0781 ± 0.0015 Å
• c: 33.587 ± 0.002 Å
• α: 90°
• β: 98.137 ± 0.004°
• γ: 90°
• Cell volume: 12102.1 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No