Information card for entry 4324659

Structure parameters

• Formula: C25.5 H24 N3 O4.5 V
• Calculated formula: C25.5 H24 N3 O4.5 V
• Title of publication: o-Iminobenzosemiquinonate and o-Imino-p-methylbenzosemiquinonate Anion Radicals Coupled VO2+ Stabilization
• Authors of publication: Amit Saha Roy; Pinaki Saha; Nirmal Das Adhikary; Prasanta Ghosh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2488 - 2500
• a: 8.0598 ± 0.0001 Å
• b: 15.1237 ± 0.0003 Å
• c: 19.2297 ± 0.0003 Å
• α: 90°
• β: 90.901 ± 0.001°
• γ: 90°
• Cell volume: 2343.7 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No