Information card for entry 4301360

Structure parameters

• Formula: C29 H32 Mn3 N10 O9
• Calculated formula: C29 H28 Mn3 N10 O9
• Title of publication: {Mn6}n Single-Chain Magnet Bearing Azides and Di-2-pyridylketone-Derived Ligands
• Authors of publication: Theocharis C. Stamatatos; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 807 - 809
• a: 12.104 ± 0.002 Å
• b: 20.33 ± 0.004 Å
• c: 13.557 ± 0.003 Å
• α: 90°
• β: 100.317 ± 0.004°
• γ: 90°
• Cell volume: 3282.1 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No