Information card for entry 7025136

Structure parameters

• Formula: C73.5 H78.25 Mn4 N8.75 O16
• Calculated formula: C73.5 H78.25 Mn4 N8.75 O16
• Title of publication: Ferromagnetic manganese “cubes”: from PSII to single-molecule magnets
• Authors of publication: Inglis, Ross; Stoumpos, Constantinos C.; Prescimone, Alessandro; Siczek, Milosz; Lis, Tadeusz; Wernsdorfer, Wolfgang; Brechin, Euan K.; Milios, Constantinos J.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4777
• a: 13.14 ± 0.004 Å
• b: 49.51 ± 0.03 Å
• c: 22.596 ± 0.007 Å
• α: 90°
• β: 98.37 ± 0.03°
• γ: 90°
• Cell volume: 14544 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1668
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No