Information card for entry 7025354

Structure parameters

• Formula: C97.9 H168.6 K Mn15 N3.8 O50
• Calculated formula: C97.9 H168.6 K Mn15 N3.8 O50
• Title of publication: A Mn₁₅ single-molecule magnet consisting of a supertetrahedron incorporated in a loop.
• Authors of publication: Moushi, Eleni E.; Masello, Antonio; Wernsdorfer, Wolfgang; Nastopoulos, Vassilios; Christou, George; Tasiopoulos, Anastasios J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4978 - 4985
• a: 16.7239 ± 0.0004 Å
• b: 20.9456 ± 0.0006 Å
• c: 21.7298 ± 0.0006 Å
• α: 61.502 ± 0.003°
• β: 81.995 ± 0.002°
• γ: 87.622 ± 0.002°
• Cell volume: 6621.6 ± 0.4 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: 0.1133
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.2074
• Weighted residual factors for all reflections included in the refinement: 0.2224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No