Information card for entry 4101335

Structure parameters

• Formula: C74 H98 N24 O22 V10
• Calculated formula: C74 H16 N24 O22 V10
• Title of publication: A highly reduced vanadium(III/IV) polyoxovanadate comprising an octavanadyl square-prism surrounding a dimetallic vanadium(III) fragment.
• Authors of publication: Laye, Rebecca H; Wei, Qiang; Mason, Pamela V; Shanmugam, Maheswaran; Teat, Simon J; Brechin, Euan K; Collison, David; McInnes, Eric J L
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 28
• Pages of publication: 9020 - 9021
• a: 17.495 ± 0.0018 Å
• b: 17.495 ± 0.0018 Å
• c: 18.5306 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5671.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 139
• Hermann-Mauguin space group symbol: I 4/m m m
• Hall space group symbol: -I 4 2
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.2658
• Weighted residual factors for all reflections included in the refinement: 0.2826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.6778 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No