Information card for entry 4349355

Structure parameters

• Formula: C32 H50 Ce N2 Si4
• Calculated formula: C32 H50 Ce N2 Si4
• SMILES: [Ce]123456789([n]%10ccccc%10c%10[n]1cccc%10)([c]1([Si](C)(C)C)[cH]2[c]3([Si](C)(C)C)[cH]4[cH]51)[c]1([Si](C)(C)C)[cH]6[c]7([Si](C)(C)C)[cH]8[cH]91
• 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: 11.1559 ± 0.0002 Å
• b: 17.1622 ± 0.0003 Å
• c: 19.284 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3692.11 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No