Information card for entry 4328984

Structure parameters

• Formula: C64 H64 Mn4 N8 O52 Si W12
• Calculated formula: C64 H56 Mn4 N8 O52 Si W12
• SMILES: [W]1234(=O)O[W]567(=O)O[W]89%10(O[W]%11%12(O1)(=O)O[W]1%13(O2)(=O)O[W]2%14%15(O[W]%16(O3)(=O)(O5)O[W]35([O]2%16[Si]2([O]4%111)[O]68[W](O7)(=O)(O9)(O3)O[W]13([O]42[W](O%12)(O%10)(=O)(O[W]4(O%13)(=O)(O%14)O3)O1)(O5)=O)(O%15)=O)=O)=O.[Mn]1234([OH2])[O]([Mn]567([OH2])Oc8ccccc8C=[N]6CC[N]7=Cc6ccccc6[O]25)c2ccccc2C=[N]3CC[N]4=Cc2ccccc2O1.[Mn]1234([OH2])Oc5ccccc5C=[N]3CC[N]4=Cc3ccccc3[O]1[Mn]134([OH2])[O]2c2ccccc2C=[N]3CC[N]4=Cc2ccccc2O1
• Title of publication: Coulombic Aggregations of MnIIIsalen-Type Complexes and Keggin-Type Polyoxometalates: Isolation of Mn2 Single-Molecule Magnets
• Authors of publication: Yuki Sawada; Wataru Kosaka; Yoshihito Hayashi; Hitoshi Miyasaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4824 - 4832
• a: 13.11 ± 0.0011 Å
• b: 15.9661 ± 0.0012 Å
• c: 16.1721 ± 0.001 Å
• α: 73.882 ± 0.004°
• β: 81.157 ± 0.006°
• γ: 89.561 ± 0.006°
• Cell volume: 3211.2 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No