Information card for entry 4314046

Structure parameters

• Common name: K(OIP)4(THF)3
• Formula: C48 H68 K4 O7
• Calculated formula: C48 H68 K4 O7
• SMILES: [K]12[O]3([K]4[O]1([K]1([O]2([K]3([O]41c1ccccc1C(C)C)([O]1CCCC1)[O]1CCCC1)c1ccccc1C(C)C)[O]1CCCC1)c1ccccc1C(C)C)c1ccccc1C(C)C
• 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: 13.309 ± 0.004 Å
• b: 14.314 ± 0.004 Å
• c: 14.537 ± 0.004 Å
• α: 88.714 ± 0.005°
• β: 87.819 ± 0.005°
• γ: 64.566 ± 0.005°
• Cell volume: 2499.1 ± 1.2 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: 0.0904
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No