Information card for entry 4349357

Structure parameters

• Formula: C52 H84 I2 La2
• Calculated formula: C52 H84 I2 La2
• SMILES: [La]123456789([I][La]%10%11%12%13%14%15%16%17([I]1)([c]1([cH]%10[c]%11([cH]%12[cH]%131)C(C)(C)C)C(C)(C)C)[c]1([cH]%14[c]%15([cH]%16[cH]%171)C(C)(C)C)C(C)(C)C)([c]1([cH]2[c]3([cH]4[cH]51)C(C)(C)C)C(C)(C)C)[c]1([cH]9[cH]8[c]7([cH]61)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: 10.5116 ± 0.0003 Å
• b: 11.3423 ± 0.0004 Å
• c: 23.8269 ± 0.0011 Å
• α: 90.556 ± 0.003°
• β: 98.291 ± 0.003°
• γ: 104.438 ± 0.003°
• Cell volume: 2719.22 ± 0.18 ų
• Cell temperature: 120.02 ± 0.1 K
• Ambient diffraction temperature: 120.02 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No