Information card for entry 4343984

Structure parameters

• Formula: C96 H174 Cl3 N18 O57.25 V6
• Calculated formula: C96 H90 Cl1.238 N18 O55.842 V6
• Title of publication: Aerial Oxidation of a V(IV)-Iminopyridine Hydroquinonate Complex: A Trap for the V(IV)-Semiquinonate Radical Intermediate.
• Authors of publication: Stylianou, Marios; Drouza, Chryssoula; Giapintzakis, John; Athanasopoulos, Georgios I.; Keramidas, Anastasios D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7218 - 7229
• a: 25.6422 ± 0.0017 Å
• b: 33.986 ± 0.002 Å
• c: 30.3523 ± 0.0019 Å
• α: 90 ± 0.005°
• β: 105.348 ± 0.006°
• γ: 90 ± 0.005°
• Cell volume: 25508 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.2552
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No