Information card for entry 7055826

Structure parameters

• Formula: C26 H18 N4 O3 V
• Calculated formula: C26 H18 N4 O3 V
• SMILES: c12O[V]34([N](N=C(O3)c3ccccc3)=Cc2cccc1)([n]1cccc2ccc3ccc[n]4c3c12)=O
• Title of publication: Coordination of o-benzosemiquinonate, o-iminobenzosemiquinonate, 4,4′-di-tert-butyl-2,2′-bipyridine and 1,10-phenanthroline anion radicals to oxidovanadium(iv)
• Authors of publication: Shit, Madhusudan; Maity, Suvendu; Bera, Sachinath; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 10305
• a: 21.5463 ± 0.0013 Å
• b: 8.3435 ± 0.0005 Å
• c: 25.3092 ± 0.0015 Å
• α: 90°
• β: 107.29 ± 0.002°
• γ: 90°
• Cell volume: 4344.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No