Information card for entry 4314049

Structure parameters

• Common name: [K3(OBP)3(Py)2]2
• Formula: C80 H98 K6 N4 O6
• Calculated formula: C80 H98 K6 N4 O6
• SMILES: c1(c(cccc1)C(C)(C)C)[O-].[K+].n1ccccc1
• 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: 12.059 ± 0.004 Å
• b: 13.91 ± 0.004 Å
• c: 14.008 ± 0.005 Å
• α: 106.354 ± 0.006°
• β: 112.576 ± 0.006°
• γ: 97.89 ± 0.006°
• Cell volume: 2000.4 ± 1.1 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1199
• 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