Information card for entry 4115413

Structure parameters

• Common name: [{K(18-crown6)}2(C12H12)]
• Formula: C36 H60 K2 O12
• Calculated formula: C36 H60 K2 O12
• Title of publication: The First Crystalline Alkali Metal Salt of a Benzenoid Radical Anion without a Stabilizing Substituent and of a Related Dimer: X-ray Structures of the Toluene Radical Anion and of the Benzene Radical Anion Dimer Potassium-Crown Ether Salts
• Authors of publication: Peter B. Hitchcock; Michael F. Lappert; Andrey V. Protchenko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 189 - 190
• a: 26.1009 ± 0.0008 Å
• b: 16.3832 ± 0.0007 Å
• c: 9.13 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3904.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No