Information card for entry 7039719

Structure parameters

• Formula: C36 H54 Li N4 Nd O
• Calculated formula: C36 H54 Li N4 Nd O
• SMILES: [Nd]123456789%10([N](C(=[N]1C(C)C)C#CC1CC1)(C(C)C)[Li]1([N]2(C(=N31C(C)C)C#CC1CC1)C(C)C)[O]1CCCC1)[CH]1=[CH]4[CH]5=[CH]6[CH]7=[CH]8[CH]9=[CH]%101
• Title of publication: Five different types of η(8)-cyclooctatetraenyl-lanthanide half-sandwich complexes from one ligand set, including a "giant neodymium wheel".
• Authors of publication: Sroor, Farid M.; Hrib, Cristian G.; Liebing, Phil; Hilfert, Liane; Busse, Sabine; Edelmann, Frank T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13332 - 13346
• a: 17.592 ± 0.003 Å
• b: 20.156 ± 0.004 Å
• c: 20.206 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7165 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No