Information card for entry 4305584

Structure parameters

• Formula: C41 H95 N19 O40.5 V4
• Calculated formula: C41 H80 N19 O40.744 V4
• Title of publication: Solid State and Aqueous Solution Characterization of Rectangular Tetranuclear VIV/V-p-Semiquinonate/Hydroquinonate Complexes Exhibiting a Proton Induced Electron Transfer
• Authors of publication: Chryssoula Drouza; Anastasios D. Keramidas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7211 - 7224
• a: 14.0245 ± 0.0004 Å
• b: 15.1826 ± 0.0005 Å
• c: 19.6243 ± 0.0007 Å
• α: 94.517 ± 0.003°
• β: 101.466 ± 0.003°
• γ: 107.133 ± 0.003°
• Cell volume: 3871.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No