Information card for entry 4335499

Structure parameters

• Formula: C43 H8 Ce F30 N3 O
• Calculated formula: C43 H8 Ce F30 N3 O
• SMILES: [Ce]123456(N(c7c(c(c(c(c7F)F)F)F)[F]1)c1c(c(c(c(c1[F]2)F)F)F)F)(N(c1c(c(c(c(c1F)F)F)F)[F]3)c1c(c(c(c(c1F)F)F)F)[F]4)(N(c1c(c(c(c(c1F)F)F)F)[F]5)c1c(c(c(c(c1F)F)F)F)[F]6)[O](c1ccccc1)C
• 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: 10.449 ± 0.003 Å
• b: 11.307 ± 0.003 Å
• c: 18.92 ± 0.005 Å
• α: 83.687 ± 0.011°
• β: 88.692 ± 0.01°
• γ: 71.854 ± 0.009°
• Cell volume: 2111.1 ± 1 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 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: 0.0243
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No