Information card for entry 7101228

Structure parameters

• Formula: C96 H164 O56 V18
• Calculated formula: C96 H154 O56 V18
• Title of publication: A high-nuclearity, beyond "fully reduced" polyoxo(alkoxo)vanadium(III/IV) cage
• Authors of publication: Tidmarsh, Ian S.; Laye, Rebecca H.; Brearley, Paul R.; Shanmugam, Maheswaran; Sañudo, E. Carolina; Sorace, Lorenzo; Caneschi, Andrea; McInnes, Eric J. L.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 24
• Pages of publication: 2560 - 2562
• a: 14.0361 ± 0.0013 Å
• b: 16.0288 ± 0.0013 Å
• c: 16.2151 ± 0.0012 Å
• α: 74.367 ± 0.007°
• β: 87.552 ± 0.007°
• γ: 65.633 ± 0.009°
• Cell volume: 3190.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2386
• Weighted residual factors for all reflections included in the refinement: 0.2793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No