Information card for entry 7112115

Structure parameters

• Formula: C27 H27 Ce F15 N3 Si3
• Calculated formula: C27 H27 Ce F15 N3 Si3
• SMILES: [Ce]123(N([Si](C)(C)C)c4c(c(c(c(c4F)F)F)F)[F]1)(N([Si](C)(C)C)c1c(c(c(c(c1F)F)F)F)[F]2)N([Si](C)(C)C)c1c(c(c(c(c1F)F)F)F)[F]3
• 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: 10.1537 ± 0.0008 Å
• b: 10.8288 ± 0.0008 Å
• c: 16.3322 ± 0.0013 Å
• α: 95.387 ± 0.003°
• β: 107.295 ± 0.003°
• γ: 94.714 ± 0.003°
• Cell volume: 1695.5 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No