Information card for entry 7014138

Structure parameters

• Formula: C56 H34 Mn5 O18 S8
• Calculated formula: C56 H34 Mn5 O18 S8
• Title of publication: Hydrothermal synthesis and magnetic properties of novel Mn(II) and Zn(II) materials with thiolato-carboxylate donor ligand frameworks.
• Authors of publication: Humphrey, Simon M.; Mole, Richard A.; Rawson, Jeremy M.; Wood, Paul T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 11
• Pages of publication: 1670 - 1678
• a: 8.9619 ± 0.0002 Å
• b: 12.0924 ± 0.0003 Å
• c: 13.6786 ± 0.0004 Å
• α: 82.383 ± 0.001°
• β: 86.768 ± 0.0012°
• γ: 78.8418 ± 0.0008°
• Cell volume: 1440.79 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No