Information card for entry 7108572

Structure parameters

• Common name: ST2832
• Formula: C169.8 H236 Mn5 N10.6 O26
• Calculated formula: C169.8 H230.45 Mn5 N10.6 O26
• Title of publication: Calixarene-supported clusters: employment of complementary cluster ligands for the construction of a ferromagnetic [Mn5] cage
• Authors of publication: Stephanie M. Taylor; Ruaraidh D. McIntosh; Stergios Piligkos; Scott J. Dalgarno; Euan K. Brechin
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 11190
• a: 19.5877 ± 0.0009 Å
• b: 21.2285 ± 0.001 Å
• c: 22.6548 ± 0.001 Å
• α: 100.189 ± 0.002°
• β: 110.81 ± 0.002°
• γ: 102.36 ± 0.002°
• Cell volume: 8265 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No