Information card for entry 4307721

Structure parameters

• Formula: C8 H28 Na4 O32 V4
• Calculated formula: C8 H28 Na4 O32 V4
• SMILES: [V]123(O[C@H]([C@@H]4C(=O)O[V]5(O4)(=O)O[V]4(O[C@H]([C@@H]6C(=O)O[V](O6)(=O)(O2)O5)C(=O)O4)(=O)O3)C(=O)O1)=O.[Na+].[Na+].O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.O.[V]123(O[C@@H]([C@H]4C(=O)O[V]5(O4)(=O)O[V]4(O[C@@H]([C@H]6C(=O)O[V](O6)(=O)(O2)O5)C(=O)O4)(=O)O3)C(=O)O1)=O.[Na+].[Na+].O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].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: 10.627 ± 0.002 Å
• b: 11.392 ± 0.002 Å
• c: 14.167 ± 0.003 Å
• α: 88.76 ± 0.03°
• β: 78.53 ± 0.03°
• γ: 62.85 ± 0.03°
• Cell volume: 1490.9 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No