Information card for entry 4335498

Structure parameters

• Formula: C44 H20 Ce F30 N3 O2
• Calculated formula: C44 H20 Ce F30 N3 O2
• SMILES: c1(c(c(c(c(c1F)F)F)F)F)N1c2c(F)c(F)c(F)c(F)c2[F][Ce]2341(N(c1c(c(c(c(c1[F]3)F)F)F)F)c1c(c(c(c(c1[F]4)F)F)F)F)([O](CC)CC)(N(c1c(c(c(c(c1F)F)F)F)F)c1c(c(F)c(F)c(F)c1[F]2)F)[O](CC)CC
• 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: 20.0824 ± 0.0009 Å
• b: 20.0824 ± 0.0009 Å
• c: 22.9594 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9259.6 ± 0.8 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No