Information card for entry 2007223

Structure parameters

• Formula: C52 H40 D6 N2 O19 P2 W6
• Calculated formula: C52 H40 D6 N2 O19 P2 W6
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC([2H])([2H])[2H].O1[W]234(=O)[O]5678[W]9%10%11(O[W]%126(O[W]8(O9)(O4)(O[W]15(O[W]7(O2)(O%11)(O%12)=O)(O%10)=O)=O)(O3)=O)=O.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.N#CC([2H])([2H])[2H]
• Title of publication: Tetraphenylphosphonium Hexatungstate(VI) Acetonitrile Solvate
• Authors of publication: Parvez, Masood; Boorman, P. Michael; Langdon, Naomi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 608 - 609
• a: 13.102 ± 0.003 Å
• b: 11.57 ± 0.002 Å
• c: 19.345 ± 0.003 Å
• α: 90°
• β: 101.126 ± 0.012°
• γ: 90°
• Cell volume: 2877.4 ± 0.9 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.122
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.022
• Goodness-of-fit parameter for all reflections: 1.22
• Goodness-of-fit parameter for significantly intense reflections: 1.31
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No