Information card for entry 7014140

Structure parameters

• Formula: C24 H28 Mn2 N4 O16 S4
• Calculated formula: C24 H28.04 Mn2 N4 O16 S4
• 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: 9.2801 ± 0.0002 Å
• b: 10.5377 ± 0.0002 Å
• c: 16.8864 ± 0.0004 Å
• α: 95.1726 ± 0.0011°
• β: 97.8935 ± 0.0011°
• γ: 102.707 ± 0.0009°
• Cell volume: 1583.2 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No