Information card for entry 7101866

Structure parameters

• Formula: C12 H30 K O12 P
• Calculated formula: C12 H28 K O12 P
• SMILES: [K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)([OH2])[OH2].P(=O)(O)(O)[O-]
• Title of publication: Reversible solid-state reaction between 18-Crown[6] and M[H2PO4](M = K, Rb, Cs) and an investigation of the decomplexation process.
• Authors of publication: Braga, Dario; Polito, Marco; Dichiarante, Elena; Rubini, Katia; Grepioni, Fabrizia
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 16
• Pages of publication: 1594 - 1596
• a: 20.281 ± 0.004 Å
• b: 8.35 ± 0.003 Å
• c: 24.411 ± 0.006 Å
• α: 90°
• β: 92.69 ± 0.02°
• γ: 90°
• Cell volume: 4129 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No