Information card for entry 7020813

Structure parameters

• Formula: C34 H66 Fe2 Ho2 N2 O24
• Calculated formula: C34 H66 Fe2 Ho2 N2 O24
• SMILES: C1C[O]2CC[O]3[Ho]456782(OC(C(C)(C)C)=[O][Fe]239%10[O]3CC[O]%11CC[O]%12CC[O]%13[Fe]%14([O]5CC[O]16)([O]2(C)[Ho]13%11%12%13(OC(C(C)(C)C)=[O]%14)(OC(=[O]9)C(C)(C)C)ON(=[O]1)=O)([O]7%10C)[O]=C(O8)C(C)(C)C)ON(=[O]4)=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: 12.642 ± 0.0008 Å
• b: 8.7461 ± 0.0005 Å
• c: 22.2786 ± 0.0016 Å
• α: 90°
• β: 96.566 ± 0.005°
• γ: 90°
• Cell volume: 2447.1 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0231
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No