Information card for entry 7006322

Structure parameters

• Formula: C112 H228 Fe5 N11 Nd8 O67
• Calculated formula: C112 H220 Fe5 N11 Nd8 O67
• Title of publication: High-nuclearity 3d‒4f [FeIII5LnIII8] complexes: synthesis, structure and magnetic properties
• Authors of publication: Ako, Ayuk M.; Mereacre, Valeriu; Clérac, Rodolphe; Hewitt, Ian J.; Lan, Yanhua; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 45
• Pages of publication: 5245
• a: 16.2521 ± 0.0007 Å
• b: 18.3484 ± 0.0008 Å
• c: 29.9621 ± 0.0013 Å
• α: 92.295 ± 0.001°
• β: 92.288 ± 0.001°
• γ: 106.969 ± 0.001°
• Cell volume: 8526.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No