Information card for entry 7112119

Structure parameters

• Formula: C13 H19 F5 K N O Si
• Calculated formula: C13 H19 F5 K N O Si
• SMILES: [K+].[Si]([N-]c1c(F)c(F)c(F)c(F)c1F)(C)(C)C.O(CC)CC
• Title of publication: k^2^-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity
• Authors of publication: Haolin Yin; Jerome R. Robinson; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3470
• a: 9.7741 ± 0.0006 Å
• b: 22.338 ± 0.0012 Å
• c: 8.2804 ± 0.0005 Å
• α: 90°
• β: 107.812 ± 0.003°
• γ: 90°
• Cell volume: 1721.23 ± 0.18 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.851
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No