Information card for entry 4326845

Structure parameters

• Formula: C12 H29 N4 O20.5 V2
• Calculated formula: C12 H26 N4 O20.5 V2
• Title of publication: A Unique Dinuclear Mixed V(V) Oxo-peroxo Complex in the Structural Speciation of the Ternary V(V)-Peroxo-citrate System. Potential Mechanistic and Structural Insight into the Aqueous Synthetic Chemistry of Dinuclear V(V)-Citrate Species with H2O2
• Authors of publication: M. Kaliva; C. Gabriel; C. P. Raptopoulou; A. Terzis; G. Voyiatzis; M. Zervou; C. Mateescu; A. Salifoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11423 - 11436
• a: 20.833 ± 0.008 Å
• b: 9.235 ± 0.004 Å
• c: 25.678 ± 0.011 Å
• α: 90°
• β: 95.193 ± 0.014°
• γ: 90°
• Cell volume: 4920 ± 4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No