Information card for entry 7039723

Structure parameters

• Formula: C56 H84 Ce2 N8
• Calculated formula: C56 H84 Ce2 N8
• SMILES: C1(C#CC2CC2)=[N](C(C)C)[Ce]23456789(N1C(C)C)([CH]1%10=[CH]4%11[CH]45=[CH]56[CH]36=[CH]37[CH]8([Ce]354678%10%11%12([N](=C(N7C(C)C)C#CC3CC3)C(C)C)[N](=C(N8C(C)C)C#CC3CC3)C(C)C)=[CH]19%12)[N](=C(C#CC1CC1)N2C(C)C)C(C)C
• 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: 21.938 ± 0.004 Å
• b: 17.32 ± 0.004 Å
• c: 16.644 ± 0.003 Å
• α: 90°
• β: 112.97 ± 0.03°
• γ: 90°
• Cell volume: 5823 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No