Information card for entry 7112116

Structure parameters

• Formula: C39 H51 Ce F15 N3 O6 Si3
• Calculated formula: C39 H51 Ce F15 N3 O6 Si3
• SMILES: [Ce]12(N([Si](C)(C)C)c3c(c(c(c(c3F)F)F)F)[F]1)(N([Si](C)(C)C)c1c(c(c(c(c1F)F)F)F)F)(N([Si](C)(C)C)c1c(c(c(c(c1F)F)F)F)F)[O]1CC[O]2CCOCCOCCOCCOCC1
• 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: 28.709 ± 0.003 Å
• b: 15.5294 ± 0.0018 Å
• c: 23.281 ± 0.003 Å
• α: 90°
• β: 111.149 ± 0.005°
• γ: 90°
• Cell volume: 9680 ± 2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• 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: 0.0299
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No