Information card for entry 7039717

Structure parameters

• Formula: C30 H43 Ho N2 O
• Calculated formula: C30 H43 Ho N2 O
• SMILES: [Ho]12345678([N](C9CCCCC9)=C(C#CC9CC9)N8C8CCCCC8)([CH]8=[CH]1[CH]2=[CH]3[CH]4=[CH]5[CH]6=[CH]78)[O]1CCCC1
• 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: 12.872 ± 0.003 Å
• b: 14.491 ± 0.003 Å
• c: 15.056 ± 0.003 Å
• α: 90°
• β: 100.37 ± 0.03°
• γ: 90°
• Cell volume: 2762.5 ± 1.1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No