Information card for entry 5000294

Structure parameters

• Formula: C76 H108 Cl2 Mn8 N8 O36
• Calculated formula: C76.6522 H85.16 Cl2 Mn8 N8 O32.984
• Title of publication: Single-Molecule Magnets: Novel Mn8 and Mn9 Carboxylate Clusters Containing an Unusual Pentadentate Ligand Derived from Pyridine-2,6-dimethanol
• Authors of publication: Colette Boskovic; Wolfgang Wernsdorfer; Kirsten Folting; John C. Huffman; David N. Hendrickson; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5107 - 5118
• a: 16.6942 ± 0.0005 Å
• b: 13.8473 ± 0.0004 Å
• c: 20.0766 ± 0.0006 Å
• α: 90°
• β: 99.8797 ± 0.0012°
• γ: 90°
• Cell volume: 4572.3 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3678
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No