Information card for entry 4335502

Structure parameters

• Formula: C16 H10 F10 N Na O
• Calculated formula: C16 H10 F10 N Na O
• SMILES: [Na+].O(CC)CC.[N-](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Electrophilic Ln(III) Cations Protected by C-F →Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors
• Authors of publication: Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8234 - 8243
• a: 11.5901 ± 0.0016 Å
• b: 19.572 ± 0.003 Å
• c: 16.133 ± 0.002 Å
• α: 90°
• β: 108.472 ± 0.006°
• γ: 90°
• Cell volume: 3471.1 ± 0.8 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No