Information card for entry 4314047

Structure parameters

• Common name: K4(OIP)4(Py)3
• Formula: C51 H59 K4 N3 O4
• Calculated formula: C51 H59 K4 N3 O4
• SMILES: [K]12([n]3ccccc3)[O]3([K]4[O]5([K]([n]6ccccc6)([n]6ccccc6)([O]14c1ccccc1C(C)C)[O]2([K]35)c1ccccc1C(C)C)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: 16.348 ± 0.008 Å
• b: 17.5 ± 0.008 Å
• c: 17.999 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5149 ± 4 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No