Information card for entry 4307722

Structure parameters

• Formula: C40 H96 N4 O26 V4
• Calculated formula: C40 H96 N4 O26 V4
• SMILES: [V]123(O[V]45(OC(=O)[C@@H]([C@@H]6C(=O)O[V](O[V]7(OC(=O)[C@@H]([C@H](C(=O)O2)O1)O7)(=O)O4)(O6)(=O)O3)O5)=O)=O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.O.O.O.O.O.O
• Title of publication: Vanadium(V) Tartrato Complexes: Speciation in the H3O+(OH-)/H2VO4-/(2R,3R)-Tartrate System and X-ray Crystal Structures of Na4[V4O8(rac-tart)2].12H2O and (NEt4)4[V4O8((R,R)-tart)2].6H2O (tart = C4H2O64-)
• Authors of publication: Peter Schwendt; Alan S. Tracey; Jozef Tatiersky; Jana Gáliková; Zdirad Žák
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3971 - 3983
• a: 12.225 ± 0.002 Å
• b: 14.029 ± 0.003 Å
• c: 18.298 ± 0.004 Å
• α: 90°
• β: 108.75 ± 0.03°
• γ: 90°
• Cell volume: 2971.6 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No