Information card for entry 4317899

Structure parameters

• Chemical name: 18-crown-6-potassium bis(pentafluorophenyl)phosphanodithioformate
• Formula: C26 H26 Cl2 F10 K O6 P S2
• Calculated formula: C26 H26 Cl2 F10 K O6 P S2
• SMILES: P(C(=S)[S-])(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.[K+]12345[O]6CC[O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6.C(Cl)Cl
• Title of publication: Stabilization of the P(CF~3~)~2~^-^- Ion as a Reversible CS2Adduct, [P(CF~3~)~2~CS~2~]^-^, and Its Potential Use as a Nucleophilic P(CF~3~)~2~^-^ Source: Synthesis and Structure of [18-crown-6-K][P(C~6~F~5~)~2~CS~2~]
• Authors of publication: Berthold Hoge; Christoph Thösen; Tobias Herrmann; Ingo Pantenburg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2260 - 2265
• a: 11.5177 ± 0.0013 Å
• b: 14.981 ± 0.002 Å
• c: 20.182 ± 0.002 Å
• α: 90°
• β: 102.579 ± 0.013°
• γ: 90°
• Cell volume: 3398.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1068
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections: 0.1688
• Weighted residual factors for significantly intense reflections: 0.1525
• Goodness-of-fit parameter for all reflections: 0.928
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No