Information card for entry 7113048

Structure parameters

• Formula: C70 H90 Mn6 N12 O26
• Calculated formula: C70 H90 Mn6 N12 O26
• Title of publication: A new family of oxime-based hexanuclear manganese(III) single molecule magnets with high anisotropy energy barriers.
• Authors of publication: Tomsa, Adrian-Raul; Martínez-Lillo, José; Li, Yanling; Chamoreau, Lise-Marie; Boubekeur, Kamal; Farias, Fernanda; Novak, Miguel A.; Cremades, Eduard; Ruiz, Eliseo; Proust, Anna; Verdaguer, Michel; Gouzerh, Pierre
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 28
• Pages of publication: 5106 - 5108
• a: 13.388 ± 0.003 Å
• b: 13.497 ± 0.004 Å
• c: 24.781 ± 0.009 Å
• α: 104.97 ± 0.02°
• β: 94.08 ± 0.03°
• γ: 103.1 ± 0.02°
• Cell volume: 4173 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1755
• Residual factor for significantly intense reflections: 0.1522
• Weighted residual factors for significantly intense reflections: 0.3916
• Weighted residual factors for all reflections included in the refinement: 0.4029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No