Information card for entry 7112117

Structure parameters

• Formula: C70 H86 Ce2 F30 N6 O7 Si6
• Calculated formula: C70 H86 Ce2 F30 N6 O7 Si6
• 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: 12.193 ± 0.0016 Å
• b: 18.164 ± 0.003 Å
• c: 40.779 ± 0.006 Å
• α: 90°
• β: 95.641 ± 0.006°
• γ: 90°
• Cell volume: 8988 ± 2 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: 0.0448
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No