Information card for entry 1515765

Structure parameters

• Formula: C62 H98 O13 V2
• Calculated formula: C62 H92 O13 V2
• Title of publication: Low-valent vanadium catecholate clusters
• Authors of publication: Scales, Emma; Sorace, Lorenzo; Dei, Andrea; Caneschi, Andrea; Muryn, Christopher A.; Collison, David; McInnes, Eric J. L.
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 221
• a: 13.7603 ± 0.0012 Å
• b: 11.8807 ± 0.001 Å
• c: 20.3294 ± 0.0018 Å
• α: 90°
• β: 95.249 ± 0.002°
• γ: 90°
• Cell volume: 3309.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No