Information card for entry 4315658

Structure parameters

• Formula: C40 H53 Mn2 N9 Nd2 O21
• Calculated formula: C40 H53 Mn2 N9 Nd2 O21
• Title of publication: Family of MnIII2Ln2(μ4-O) Compounds: Syntheses, Structures, and Magnetic Properties
• Authors of publication: Valeriu Mereacre; Yanhua Lan; Rodolphe Clérac; Ayuk M. Ako; Ian J. Hewitt; Wolfgang Wernsdorfer; Gernot Buth; Christopher E. Anson; Annie K. Powell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5293 - 5302
• a: 15.8109 ± 0.0008 Å
• b: 18.0655 ± 0.0009 Å
• c: 36.9519 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10554.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No