Information card for entry 7020812

Structure parameters

• Formula: C34 H66 Dy2 Fe2 N2 O24
• Calculated formula: C34 H66 Dy2 Fe2 N2 O24
• SMILES: C1C[O]2CC[O]3CC[O]4[Dy]567823([O]1[Fe]123([O]9(C)[Fe]%104([O]=C(C(C)(C)C)O5)([O]=C(O[Dy]459%11%12([O]%10CC[O]4CC[O]5CC[O]1%11)(OC(C(C)(C)C)=[O]3)ON(=[O]%12)=O)C(C)(C)C)[O]82C)[O]=C(O6)C(C)(C)C)ON(=[O]7)=O
• Title of publication: Body-wing swapping in butterfly {Fe(III)2Ln(III)2} coordination clusters with triethylene glycol as ligand.
• Authors of publication: Peng, Guo; Kostakis, George E.; Lan, Yanhua; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 1
• Pages of publication: 46 - 49
• a: 12.6964 ± 0.0003 Å
• b: 8.7711 ± 0.0002 Å
• c: 22.3611 ± 0.0006 Å
• α: 90°
• β: 96.513 ± 0.002°
• γ: 90°
• Cell volume: 2474.09 ± 0.11 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No