Information card for entry 4314050

Structure parameters

• Common name: K3(DMP)3(THF)
• Formula: C28 H35 K3 O4
• Calculated formula: C28 H35 K3 O4
• SMILES: [K]12([O]([K]3[O]1([K][O]23c1c(cccc1C)C)c1c(cccc1C)C)c1c(cccc1C)C)[O]1CCCC1
• Title of publication: Structural Variations of Potassium Aryloxides
• Authors of publication: Timothy J. Boyle; Nicholas L. Andrews; Mark A. Rodriguez; Charles Campana; Timothy Yiu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5357 - 5366
• a: 11.738 ± 0.003 Å
• b: 11.887 ± 0.003 Å
• c: 11.985 ± 0.003 Å
• α: 71.754 ± 0.004°
• β: 62.253 ± 0.004°
• γ: 74.888 ± 0.004°
• Cell volume: 1392.4 ± 0.6 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No