Information card for entry 7021475

Structure parameters

• Formula: C62 H122 Mn18 N12 O42
• Calculated formula: C62.01 H122.01 Mn18 N12 O42.02
• Title of publication: High symmetry superoctahedron cluster [Mn(III)18O14](26+) from the use of N,N,N',N'-tetrakis(2-hydroxyethyl)ethylenediamine.
• Authors of publication: Zhou, Ai-Ju; Leng, Ji-Dong; Hu, Jin-Sheng; Tong, Ming-Liang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9428 - 9431
• a: 27.8099 ± 0.0004 Å
• b: 27.8099 ± 0.0004 Å
• c: 27.8099 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21507.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.2703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No