Information card for entry 7052211

Structure parameters

• Formula: C61 H79 Mn5 N15 Na2 O26 S4
• Calculated formula: C61 H79 Mn5 N15 Na2 O26 S4
• Title of publication: Synthesis, crystal structure and magnetic properties of a new mixed-valence [Mn4IIIMnII] pentanuclear complex
• Authors of publication: Beghidja, Chahrazed; Rogez, Guillaume; Welter, Richard
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 1403
• a: 26.349 ± 0.005 Å
• b: 12.877 ± 0.003 Å
• c: 25.364 ± 0.005 Å
• α: 90°
• β: 111.33 ± 0.05°
• γ: 90°
• Cell volume: 8016 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No