Information card for entry 4327167

Structure parameters

• Formula: C32 H52 Cl6 Mn5 N6 O10
• Calculated formula: C32 H52 Cl6 Mn5 N6 O10
• SMILES: C1[N]23CCO[Mn]45673[O](CC[N]5(CCO6)C1)[Mn]135([n]6c(C[O]85[Mn]5([O]4CC2)(Cl)([n]2ccccc2C[O]735)[O]2CC[N]34CCO[Mn]57824[N](CC3)(CCO5)CC[O]17)cccc6)Cl.Cl[Mn](Cl)([Cl-])[Cl-]
• Title of publication: New Mixed-Valent Mn Clusters from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine (edteH4): Mn3, Mn4, Mn6, and Mn10
• Authors of publication: Arpita Saha; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12774 - 12784
• a: 26.757 ± 0.002 Å
• b: 10.7825 ± 0.0009 Å
• c: 15.793 ± 0.0013 Å
• α: 90°
• β: 91.931 ± 0.002°
• γ: 90°
• Cell volume: 4553.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1187
• 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