Information card for entry 4335496

Structure parameters

• Formula: C36 Ce F30 N3
• Calculated formula: C36 Ce F30 N3
• SMILES: c12c(c(c(c(c1F)F)F)F)[F][Ce]13456([F]c7c(N21)c(c(F)c(c7F)F)F)(N(c1c(c(F)c(c(c1F)F)F)[F]3)c1c(c(c(c(c1F)F)F)F)[F]6)[F]c1c(c(c(c(c1F)F)F)F)N5c1c(c(F)c(F)c(F)c1F)[F]4
• 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: 18.597 ± 0.005 Å
• b: 9.345 ± 0.002 Å
• c: 20.405 ± 0.005 Å
• α: 90°
• β: 94.75 ± 0.006°
• γ: 90°
• Cell volume: 3534 ± 1.5 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• 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: 0.0275
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No