Information card for entry 7008549

Structure parameters

• Formula: C10 H18 N3 O11 V
• Calculated formula: C10 H18 N3 O11 V
• SMILES: [V]123(=O)(OO1)(OC(=O)C(O2)=O)OC(=O)c1[n]3cccc1.O.O.[NH3+]CC[NH3+]
• Title of publication: Racemic monoperoxovanadium(V) complexes with achiral OO and ON donor set heteroligands: synthesis, crystal structure and stereochemistry of [NH3(CH2)2NH3][VO(O2)(ox)(pic)].2H2O and [NH3(CH2)2NH3][VO(O2)(ox)(pca)].
• Authors of publication: Tatiersky, Jozef; Schwendt, Peter; Sivák, Michal; Marek, Jaromír
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 13
• Pages of publication: 2305 - 2311
• a: 10.3089 ± 0.0008 Å
• b: 10.1907 ± 0.0007 Å
• c: 15.7381 ± 0.0011 Å
• α: 90°
• β: 106.367 ± 0.008°
• γ: 90°
• Cell volume: 1586.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No