Information card for entry 7020403

Structure parameters

• Formula: C60 H94 Cl2 Mn6 N12 O25
• Calculated formula: C60 H76 Cl2 Mn6 N12 O25
• Title of publication: Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(iii) single-molecule magnets.
• Authors of publication: Martínez-Lillo, José; Tomsa, Adrian-Raul; Li, Yanling; Chamoreau, Lise-Marie; Cremades, Eduard; Ruiz, Eliseo; Barra, Anne-Laure; Proust, Anna; Verdaguer, Michel; Gouzerh, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 44
• Pages of publication: 13668 - 13681
• a: 30.713 ± 0.009 Å
• b: 30.713 ± 0.009 Å
• c: 17.092 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16123 ± 8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1412
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No