Information card for entry 7110424

Structure parameters

• Formula: C50 H16 F30 N3 Nd
• Calculated formula: C50 H16 F30 N3 Nd
• SMILES: [Nd]1234(N(c5c(c(c(c(c5F)F)F)F)F)c5c(c(c(c(c5[F]1)F)F)F)F)(N(c1c(c(c(c(c1F)F)F)F)[F]2)c1c(c(c(c(c1[F]3)F)F)F)F)N(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1[F]4)F)F)F)F.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Highly electrophilic lanthanide complexes containing fluorinated amido ligands: multiple Ln···F interactions, agostic interactions and η6-arene coordination
• Authors of publication: Click, Damon R.; Scott, Brian L.; Watkin, John G.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 633
• a: 22.964 ± 0.004 Å
• b: 8.712 ± 0.002 Å
• c: 24.927 ± 0.004 Å
• α: 90°
• β: 107.47 ± 0.01°
• γ: 90°
• Cell volume: 4756.9 ± 1.6 ų
• Cell temperature: 198 K
• Ambient diffraction temperature: 198 K
• Number of distinct elements: 5
• 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: 0.1199
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections: 0.1252
• Weighted residual factors for significantly intense reflections: 0.1015
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No