Information card for entry 7115975

Structure parameters

• Formula: C20 H40 Mn3 O12
• Calculated formula: C20 H40 Mn3 O12
• Title of publication: A single-chain magnet based on linear [MnIII2MnII] units
• Authors of publication: Constantina Papatriantafyllopoulou; Sotiris Zartilas; Manolis J. Manos; Celine Pichon; Rodolphe Clerac; Anastasios J. Tasiopoulos
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14873
• a: 9.0326 ± 0.0008 Å
• b: 9.2075 ± 0.0012 Å
• c: 17.277 ± 0.002 Å
• α: 102.916 ± 0.011°
• β: 91.393 ± 0.009°
• γ: 111.202 ± 0.01°
• Cell volume: 1297 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No