Information card for entry 7014139

Structure parameters

• Formula: C7 H4 O2 S Zn
• Calculated formula: C7 H4 O2 S Zn
• 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: 27.0809 ± 0.0007 Å
• b: 7.5696 ± 0.0004 Å
• c: 7.104 ± 0.0004 Å
• α: 90°
• β: 93.11 ± 0.03°
• γ: 90°
• Cell volume: 1454.12 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No