Information card for entry 4323657

Structure parameters

• Formula: Cs11 H27 O54 S V18
• Calculated formula: Cs11 O54 S V18
• Title of publication: Polyoxovanadates: High-Nuclearity Spin Clusters with Interesting Host-Guest Systems and Different Electron Populations. Synthesis, Spin Organization, Magnetochemistry, and Spectroscopic Studies
• Authors of publication: Achim Müller; Roberta Sessoli; Erich Krickemeyer; Hartmut Bögge; Jochen Meyer; Dante Gatteschi; Luca Pardi; Jörg Westphal; Kai Hovemeier; Ralf Rohlfing; Joachim Döring; Frank Hellweg; Christian Beugholt; Marc Schmidtmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 5239 - 5250
• a: 17.09 ± 0.004 Å
• b: 17.443 ± 0.004 Å
• c: 22.697 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6766 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1172
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections: 0.2084
• Weighted residual factors for significantly intense reflections: 0.1779
• Goodness-of-fit parameter for all reflections: 1.132
• Goodness-of-fit parameter for significantly intense reflections: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No