Information card for entry 5000353

Structure parameters

• Formula: C39.5 H49 Cl4 Mn4 N5 O21
• Calculated formula: C41.5657 H46.5 Cl4 Mn4 N5 O21.5
• 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: 26.025 ± 0.004 Å
• b: 13.488 ± 0.002 Å
• c: 32.102 ± 0.006 Å
• α: 90°
• β: 97.27 ± 0.01°
• γ: 90°
• Cell volume: 11178 ± 5 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4549
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No