Information card for entry 4349353

Structure parameters

• Formula: C36 H50 La N2
• Calculated formula: C36 H50 La N2
• SMILES: [La]123456789([n]%10ccccc%10c%10[n]1cccc%10)([c]1([cH]2[c]3([cH]4[cH]51)C(C)(C)C)C(C)(C)C)[c]1([cH]6[c]7([cH]8[cH]91)C(C)(C)C)C(C)(C)C
• Title of publication: Analysis of Lanthanide-Radical Magnetic Interactions in Ce(III) 2,2'-Bipyridyl Complexes.
• Authors of publication: Ortu, Fabrizio; Liu, Jingjing; Burton, Matthew; Fowler, Jonathan M.; Formanuik, Alasdair; Boulon, Marie-Emmanuelle; Chilton, Nicholas F.; Mills, David P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2496 - 2505
• a: 16.6336 ± 0.0013 Å
• b: 10.6734 ± 0.0006 Å
• c: 19.3376 ± 0.0009 Å
• α: 90°
• β: 103.307 ± 0.006°
• γ: 90°
• Cell volume: 3341 ± 0.4 ų
• Cell temperature: 150.03 ± 0.1 K
• Ambient diffraction temperature: 150.03 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0852
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No