Information card for entry 7026419

Structure parameters

• Formula: C66 H124 Cl6 Mn8 N8 O44
• Calculated formula: C66 H88 Cl6 Mn8 N8 O44
• Title of publication: Studies of magnetic properties and HFEPR of octanuclear manganese single-molecule magnets.
• Authors of publication: Wu, Che-Chih; Datta, Saiti; Wernsdorfer, Wolfgang; Lee, Gene-Hsian; Hill, Stephen; Yang, En-Che
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10160 - 10168
• a: 25.1391 ± 0.0007 Å
• b: 25.1391 ± 0.0007 Å
• c: 15.0311 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8226.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2203
• Weighted residual factors for all reflections included in the refinement: 0.2438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No