Information card for entry 7001213

Structure parameters

• Formula: C64 H80 Mn6 N6 O24
• Calculated formula: C64 H80 Mn6 N6 O24
• Title of publication: Attempting to understand (and control) the relationship between structure and magnetism in an extended family of Mn6 single-molecule magnets
• Authors of publication: Inglis, Ross; Jones, Leigh F.; Milios, Constantinos J.; Datta, Saiti; Collins, Anna; Parsons, Simon; Wernsdorfer, Wolfgang; Hill, Stephen; Perlepes, Spyros P.; Piligkos, Stergios; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 18
• Pages of publication: 3403 - 3412
• a: 12.7404 ± 0.0003 Å
• b: 15.428 ± 0.0004 Å
• c: 19.0456 ± 0.0005 Å
• α: 90.075 ± 0.002°
• β: 103.292 ± 0.001°
• γ: 98.875 ± 0.001°
• Cell volume: 3597.04 ± 0.16 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0739
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections: 0.1305
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No