Information card for entry 7712719

Structure parameters

• Formula: C10 H10 Fe2 O8 S2
• Calculated formula: C10 H10 Fe2 O8 S2
• Title of publication: NMP makes the Difference – Facilitated Synthesis of [FeFe] Hydrogenase Mimics
• Authors of publication: Benndorf, Stefan; Buday, Philipp; Callies, Benedikt; Görls, Helmar; Kupfer, Stephan; Weigand, Wolfgang
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.9054 ± 0.0002 Å
• b: 12.9304 ± 0.0003 Å
• c: 14.384 ± 0.0003 Å
• α: 67.548 ± 0.001°
• β: 75.695 ± 0.001°
• γ: 72.133 ± 0.001°
• Cell volume: 1602.78 ± 0.06 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No