Information card for entry 7115247

Structure parameters

• Formula: C58 H78 Cl2 Mn4 N8 O26
• Calculated formula: C57 H54 Cl2 Mn4 N8 O23.782
• Title of publication: A new class of single-molecule magnets: mixed-valent [Mn4(O2CMe)2(Hpdm)6][ClO4]2 with an S = 8 ground state
• Authors of publication: Brechin, Euan K.; Huffman, John C.; Christou, George; Yoo, Jae; Nakano, Motohiro; Hendrickson, David N.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 9
• Pages of publication: 783
• a: 11.914 ± 0.004 Å
• b: 15.342 ± 0.005 Å
• c: 9.66 ± 0.003 Å
• α: 104.577 ± 0.017°
• β: 93.422 ± 0.017°
• γ: 106.063 ± 0.015°
• Cell volume: 1626.2 ± 0.9 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 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 significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 2.2652
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No