Information card for entry 7055828

Structure parameters

• Formula: C32 H33 N2 O5 V
• Calculated formula: C32 H33 N2 O5 V
• 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: 11.1788 ± 0.0005 Å
• b: 18.332 ± 0.0009 Å
• c: 17.6872 ± 0.0008 Å
• α: 90°
• β: 107.635 ± 0.002°
• γ: 90°
• Cell volume: 3454.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0825
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No