Information card for entry 7024450

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[N]([Mn]6789[O]%10[Mn]%11([OH2])([OH2])([O]1C[C@@H]([N]5=Cc1c5[O]2[Na]2%12([O](c5ccc1)C)([O]1[Mn]5([O]%11C[C@@H]([N]5=Cc5c1c([O]2C)ccc5)c1ccccc1)([O]7C)([O]38)[O]4C)[O]6c1c(C=[N]9[C@H](C%10)c2ccccc2)cccc1[O]%12C)c1ccccc1)N=N#N)=N#N.[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: 13.9942 ± 0.0001 Å
• b: 15.1871 ± 0.0001 Å
• c: 27.0453 ± 0.0002 Å
• α: 90°
• β: 90.821 ± 0.001°
• γ: 90°
• Cell volume: 5747.38 ± 0.07 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: 0.0769
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.1959
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No