Information card for entry 4301194

Structure parameters

• Formula: C2 H7 K2 N O13 V2
• Calculated formula: C2 H7 K2 N O13 V2
• SMILES: C(C1=[O][V]234(OO2)([O](O3)[V]23(O1)(OO2)([O]4O3)=O)=O)[NH3+].[K+].[K+].O
• Title of publication: Aqueous V(V)-Peroxo-Amino Acid Chemistry. Synthesis, Structural and Spectroscopic Characterization of Unusual Ternary Dinuclear Tetraperoxo Vanadium(V)-Glycine Complexes
• Authors of publication: C. Gabriel; M. Kaliva; J. Venetis; P. Baran; I. Rodriguez-Escudero; G. Voyiatzis; M. Zervou; A. Salifoglou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 476 - 487
• a: 7.6766 ± 0.0009 Å
• b: 7.9534 ± 0.0009 Å
• c: 11.7494 ± 0.0013 Å
• α: 71.768 ± 0.002°
• β: 73.233 ± 0.002°
• γ: 65.66 ± 0.002°
• Cell volume: 610.15 ± 0.12 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No