Information card for entry 4314045

Structure parameters

• Common name: K6(OMP)6(Py)6
• Formula: C31 H31 K3 N2 O3
• Calculated formula: C31 H31 K3 N2 O3
• SMILES: [K+].[K+].[K+].n1ccccc1.n1ccccc1.[O-]c1ccccc1C.[O-]c1ccccc1C.[O-]c1ccccc1C
• 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: 13.538 ± 0.006 Å
• b: 26.327 ± 0.011 Å
• c: 17.208 ± 0.007 Å
• α: 90°
• β: 97.284 ± 0.008°
• γ: 90°
• Cell volume: 6084 ± 4 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1317
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No