Information card for entry 2005179

Structure parameters

• Common name: PNP tetrakis(pentafluorphenyl)gallat
• Chemical name: Bis(triphenylphosphin)iminium tetrakis(pentafluorphenyl)gallat
• Formula: C60 H30 F20 Ga N P2
• Calculated formula: C60 H30 F20 Ga N P2
• SMILES: N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Ga](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Bis(triphenylphosphin)iminium-Tetrakis(pentafluorphenyl)gallat
• Authors of publication: Tebbe, K.-F.; Gilles, T.; Conrad, F.; Tyrra, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1663 - 1666
• a: 13.473 ± 0.002 Å
• b: 25.444 ± 0.004 Å
• c: 16.158 ± 0.004 Å
• α: 90°
• β: 100.01 ± 0.02°
• γ: 90°
• Cell volume: 5454.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.2127
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.0607
• Goodness-of-fit parameter for all reflections: 0.986
• Goodness-of-fit parameter for significantly intense reflections: 1.218
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No