Information card for entry 7105431

Structure parameters

• Formula: C16.67 H85.67 Mn4.33 N5.33 Na0 O81 P2 W15
• Calculated formula: C12 H11 Mn4.33333 N3 O75.5 P2 W15
• Title of publication: Switching slow relaxation in a Mn(III)(3)Mn(IV) cluster: an example of grafting single-molecule magnets onto polyoxometalates.
• Authors of publication: Fang, Xikui; Speldrich, Manfred; Schilder, Helmut; Cao, Rui; O'Halloran, Kevin P; Hill, Craig L; Kögerler, Paul
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 2760 - 2762
• a: 30.7308 ± 0.0012 Å
• b: 30.7308 ± 0.0012 Å
• c: 18.522 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15148.4 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No