Information card for entry 4307589

Structure parameters

• Common name: Comound DL151
• Formula: C52 H118 N6 O60 S2 W18
• Calculated formula: C52 H112 N6 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: 25.2744 ± 0.0009 Å
• b: 18.0781 ± 0.0007 Å
• c: 25.9777 ± 0.0009 Å
• α: 90°
• β: 109.794 ± 0.002°
• γ: 90°
• Cell volume: 11168.3 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0986
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No