Information card for entry 7020402

Structure parameters

• Formula: C59 H104 Cl2 Mn6 N12 O31
• Calculated formula: C59 H101 Cl2 Mn6 N12 O31
• 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: 13.1601 ± 0.0011 Å
• b: 15.108 ± 0.002 Å
• c: 23.331 ± 0.003 Å
• α: 90°
• β: 102.26 ± 0.01°
• γ: 90°
• Cell volume: 4532.9 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No