Information card for entry 1515764

Structure parameters

• Formula: C67 H120 O24 V6
• Calculated formula: C67.0003 H116.001 O24.0003 V6
• 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: 13.52 ± 0.003 Å
• b: 18.22 ± 0.004 Å
• c: 19.29 ± 0.004 Å
• α: 89.59 ± 0.03°
• β: 74.53 ± 0.03°
• γ: 82.69 ± 0.03°
• Cell volume: 4540.6 ± 1.9 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: 0.1136
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.2421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.6942 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No