Information card for entry 4314051

Structure parameters

• Common name: K2(DMP)2(Py)2
• Formula: C26 H28 K2 N2 O2
• Calculated formula: C26 H28 K2 N2 O2
• SMILES: [K]12([n]3ccccc3)n3(ccccc3)[K]([O]1c1c(cccc1C)C)[O]2c1c(cccc1C)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: 11.485 ± 0.002 Å
• b: 11.844 ± 0.002 Å
• c: 12.012 ± 0.002 Å
• α: 117.927 ± 0.003°
• β: 108.854 ± 0.003°
• γ: 98.18 ± 0.003°
• Cell volume: 1279.2 ± 0.4 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: 0.0404
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No