Information card for entry 4335418

Structure parameters

• Formula: C84.5 H82 Mn9 N6 O29
• Calculated formula: C84.5 H81 Mn9 N6 O29
• Title of publication: A Defect Supertetrahedron Naphthoxime-Based [MnIII9] Single-Molecule Magnet
• Authors of publication: Małgorzata Hołyńska; Nicolas Frank; Céline Pichon; Ie-Rang Jeon; Rodolphe Clérac; Stefanie Dehnen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7317 - 7319
• a: 24.839 ± 0.003 Å
• b: 14.426 ± 0.002 Å
• c: 48.563 ± 0.005 Å
• α: 90°
• β: 100.32 ± 0.01°
• γ: 90°
• Cell volume: 17120 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.1775
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No