Information card for entry 4317543

Structure parameters

• Formula: C54 H64 Mn4 O18
• Calculated formula: C52.5 H50 Mn4 O18.5
• Title of publication: Bridging Nitrate Groups in [Mn4O3(NO3)(O2CMe)3(R2dbm)3] (R = H, Et) and [Mn4O2(NO3)(O2CEt)6(bpy)2](ClO4): Acidolysis Routes to Tetranuclear Manganese Carboxylate Complexes
• Authors of publication: Guillem Aromí; Sumit Bhaduri; Pau Artús; Kirsten Folting; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 805 - 817
• a: 10.1255 ± 0.0014 Å
• b: 17.486 ± 0.002 Å
• c: 15.464 ± 0.002 Å
• α: 90°
• β: 97.921 ± 0.008°
• γ: 90°
• Cell volume: 2711.8 ± 0.6 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 2.7341
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No