Information card for entry 7043514

Structure parameters

• Formula: C13 H5 Fe2 K O7 S
• Calculated formula: C13 H5 Fe2 K O7 S
• Title of publication: Synthesis and interconversions of reduced, alkali‒metal supported iron‒sulfur‒carbonyl complexes
• Authors of publication: Shupp, J. Patrick; Rose, Amber R.; Rose, Michael J.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 20.059 ± 0.005 Å
• b: 12.787 ± 0.003 Å
• c: 12.502 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3206.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No