Information card for entry 2007763

Structure parameters

• Chemical name: bis(tetraphenylphosphonium) μ-oxalato-O^1^,O^2^:O^1^',O^2^' -bis[aqua(oxalato-O^1^,O^2^)oxovanadium(IV)] octahydrate
• Formula: C54 H60 O24 P2 V2
• Calculated formula: C54 H60 O24 P2 V2
• SMILES: [V]12(OC(=O)C(=O)O1)(=O)([OH2])[O]=C1C(=[O][V]3(=O)([OH2])(OC(=O)C(=O)O3)O1)O2.O.O.O.O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A Dinuclear Vanadyl–Oxalate Compound
• Authors of publication: Zheng, Li-Min; Schmalle, Helmut W.; Ferlay, Sylvie; Decurtins, Silvio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1435 - 1438
• a: 9.571 ± 0.004 Å
• b: 12.773 ± 0.006 Å
• c: 13.486 ± 0.006 Å
• α: 66.39 ± 0.03°
• β: 74.97 ± 0.03°
• γ: 80.84 ± 0.03°
• Cell volume: 1456.1 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.101
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No