Information card for entry 7024449

Structure parameters

• Formula: C51 H61 Br2.125 Mn4 N8.625 Na O15
• Calculated formula: C51 H56 Br2.125 Mn4 N8.625 Na O15
• SMILES: [Mn]12345[O]6[Na]789%10[O](c%11c6c(C=[N]5[C@@H](C[O]2[Mn]2([OH2])([OH2])([O]5[Mn]6%12([N]([C@@H](C5)c5ccccc5)=Cc5c([O]76)c([O]8C)ccc5)([O]([Mn]56([N]1=N#N)([O]2C[C@H]([N]6=Cc1c([O]95)c([O]%10C)ccc1)c1ccccc1)[O]3%12)C)[O]4C)N=N#N)c1ccccc1)ccc%11)C.[Br-].[Br-].OC
• Title of publication: Chiral transition metal clusters from two enantiomeric schiff base ligands. Synthesis, structures, CD spectra and magnetic properties.
• Authors of publication: Fan, Lin-Lin; Guo, Fu-Sheng; Yun, Lei; Lin, Zhuo-Jia; Herchel, Radovan; Leng, Ji-Dong; Ou, Yong-Cong; Tong, Ming-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1771 - 1780
• a: 14.0819 ± 0.0003 Å
• b: 15.158 ± 0.0003 Å
• c: 26.9984 ± 0.0005 Å
• α: 90°
• β: 90.822 ± 0.002°
• γ: 90°
• Cell volume: 5762.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No