Information card for entry 4323655

Structure parameters

• Formula: Br H31 K10 N O55 V18
• Calculated formula: Br K10 N O55 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: 12.464 ± 0.005 Å
• b: 13.104 ± 0.006 Å
• c: 18.795 ± 0.009 Å
• α: 89.47 ± 0.04°
• β: 83.85 ± 0.03°
• γ: 73.94 ± 0.03°
• Cell volume: 2932 ± 2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections: 0.2192
• Weighted residual factors for significantly intense reflections: 0.1946
• Goodness-of-fit parameter for all reflections: 1.507
• Goodness-of-fit parameter for significantly intense reflections: 1.595
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No