Information card for entry 7039725

Structure parameters

• Formula: C190 H264 Cl8 N16 Nd8
• Calculated formula: C190 H264 Cl8 N16 Nd8
• SMILES: C1(C#CC2CC2)=[N](C2CCCCC2)[Nd]23456789%10(N1C1CCCCC1)[CH]1%11=[CH]%123[CH]34=[CH]4%10[CH]%109=[CH]98[CH]78=[CH]12[Nd]128%11%1234%109([N](C3CCCCC3)=C(C#CC3CC3)N1C1CCCCC1)[Cl][Nd]134789%10%11([Cl]2)([N](=C(N1C1CCCCC1)C#CC1CC1)C1CCCCC1)[CH]12=[CH]%10%12[CH]8%10=[CH]89[CH]97=[CH]%11([CH]47=[CH]31)[Nd]12478%12%109([N](=C(N1C1CCCCC1)C#CC1CC1)C1CCCCC1)[Cl][Nd]123789%10%11([Cl]4)([N](=C(N1C1CCCCC1)C#CC1CC1)C1CCCCC1)[CH]14=[CH]2%12[CH]28=[CH]78[CH]79=[CH]%10([CH]9%11=[CH]31%10)[Nd]123489%10%127([N](=C(N1C1CCCCC1)C#CC1CC1)C1CCCCC1)[Cl][Nd]124789%10%11([Cl]3)([CH]3%12=[CH]%137[CH]72=[CH]24[CH]14=[CH]18[CH]89=[CH]3%11[Nd]312478%12%13([N](=C(N3C1CCCCC1)C#CC1CC1)C1CCCCC1)([Cl]5)[Cl]6)[N](=C(N%10C1CCCCC1)C#CC1CC1)C1CCCCC1.c1(ccccc1)C.c1(ccccc1)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: 44.794 ± 0.009 Å
• b: 21.617 ± 0.004 Å
• c: 32.326 ± 0.007 Å
• α: 90°
• β: 125.03 ± 0.03°
• γ: 90°
• Cell volume: 25631 ± 13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0554
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No