Information card for entry 7102089

Structure parameters

• Formula: C88 H104 Mn6 N6 O24
• Calculated formula: C88 H104 Mn6 N6 O24
• Title of publication: Enhancing SMM properties in a family of [Mn6] clusters.
• Authors of publication: Milios, Constantinos J; Inglis, Ross; Bagai, Rashmi; Wernsdorfer, Wolfgang; Collins, Anna; Moggach, Stephen; Parsons, Simon; Perlepes, Spyros P; Christou, George; Brechin, Euan K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3476 - 3478
• a: 12.7121 ± 0.0004 Å
• b: 13.198 ± 0.0004 Å
• c: 15.2785 ± 0.0005 Å
• α: 75.593 ± 0.002°
• β: 78.672 ± 0.002°
• γ: 68.389 ± 0.002°
• Cell volume: 2292.53 ± 0.13 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: 0.0701
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No