Information card for entry 4110010

Structure parameters

• Formula: C74 H86 Br2 Mn6 N6 O24
• Calculated formula: C74 H86 Br2 Mn6 N6 O24
• Title of publication: Toward a Magnetostructural Correlation for a Family of Mn6SMMs
• Authors of publication: Constantinos J. Milios; Ross Inglis; Alina Vinslava; Rashmi Bagai; Wolfgang Wernsdorfer; Simon Parsons; Spyros P. Perlepes; George Christou; Euan K. Brechin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 12505 - 12511
• a: 12.2619 ± 0.0002 Å
• b: 12.4095 ± 0.0003 Å
• c: 14.2027 ± 0.0003 Å
• α: 98.437 ± 0.001°
• β: 90.726 ± 0.001°
• γ: 104.693 ± 0.001°
• Cell volume: 2065.03 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.068
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No