Information card for entry 7112904

Structure parameters

• Formula: C52 H58 Mn6 N12 O24
• Calculated formula: C52 H58 Mn6 N12 O24
• SMILES: C1c2ccc(cc2O[Mn]234N=N#[N][Mn]567[N](=Cc8ccc(OC)cc8O6)O[Mn]68([N](=Cc9ccc(cc9O8)OC)O[Mn]8(Oc9c(C=[N]8O7)ccc(c9)OC)([O]56)([OH]C)[OH]C)N=N#[N][Mn]56([N](=Cc7ccc(OC)cc7O5)O2)[O]4[Mn]2([N](O6)=Cc4ccc(cc4O2)OC)(O[N]=13)([OH]C)[OH]C)OC
• Title of publication: A manganese single-chain magnet exhibits a large magnetic coercivity.
• Authors of publication: Yang, Chen-I; Tsai, Yu-Jhe; Hung, Shao-Po; Tsai, Hui-Lien; Nakano, Motohiro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 31
• Pages of publication: 5716 - 5718
• a: 10.0446 ± 0.0005 Å
• b: 22.302 ± 0.0012 Å
• c: 13.3085 ± 0.0007 Å
• α: 90°
• β: 90.165 ± 0.001°
• γ: 90°
• Cell volume: 2981.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No