Information card for entry 7106746

Structure parameters

• Common name: S56
• Formula: C110 H157 Cl Fe2 Gd2 N8 O18
• Calculated formula: C110 H150 Cl Fe2 Gd2 N8 O18
• 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: 19.5796 ± 0.0018 Å
• b: 38.647 ± 0.004 Å
• c: 15.6623 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11852 ± 2 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: 0.098
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No