Information card for entry 7043515

Structure parameters

• Formula: C68 H80 Fe4 K2 O32 S4
• Calculated formula: C68 H80 Fe4 K2 O32 S4
• 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: 11.403 ± 0.002 Å
• b: 12.306 ± 0.002 Å
• c: 15.455 ± 0.003 Å
• α: 111.685 ± 0.005°
• β: 90.9 ± 0.005°
• γ: 96.876 ± 0.005°
• Cell volume: 1996.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0754
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No