Information card for entry 7106747

Structure parameters

• Common name: S117
• Formula: C110 H157 Cl Fe2 N8 O18 Tb2
• Calculated formula: C110 H150 Cl Fe2 N8 O18 Tb2
• Title of publication: Calixarene-supported FeIII2LnIII2 clusters
• Authors of publication: Sergio Sanz; Kerry Ferreira; Ruaraidh McIntosh; Scott Dalgarno; Euan Brechin
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9042
• a: 19.596 ± 0.0009 Å
• b: 38.5567 ± 0.0017 Å
• c: 15.7077 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11868.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No