Information card for entry 2010687

Structure parameters

• Chemical name: sodium tetraphenylphosphonium bis(2-mercapto-4- methylphenolato)oxovanadate(IV)]
• Formula: C38 H32 Na O3 P S2 V
• Calculated formula: C38 H32 Na O3 P S2 V
• SMILES: [V]12(Sc3c(O1)ccc(c3)C)(Sc1c(O2)ccc(c1)C)=O.[Na+].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: One-dimensional chains in sodium tetraphenylphosphonium bis(2-mercapto-4-methylphenolato-<i>O</i>,<i>S</i>)oxovanadate(IV)
• Authors of publication: Challen, Paul R.; McConville, David B.; Youngs, Wiley J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 310 - 311
• a: 13.888 ± 0.003 Å
• b: 10.947 ± 0.002 Å
• c: 22.33 ± 0.005 Å
• α: 90°
• β: 90.01 ± 0.02°
• γ: 90°
• Cell volume: 3394.9 ± 1.2 ų
• Cell temperature: 129 K
• Ambient diffraction temperature: 129 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.0693
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No