Information card for entry 7129041

Structure parameters

• Formula: C50 H125 Fe2 K2 N4 O12.5 S2 Si8
• Calculated formula: C50 H125 Fe2 K2 N4 O12.5 S2 Si8
• Title of publication: Synthesis and characterisation of a very low-coordinate diferrous [2Fe-2S]⁰ unit.
• Authors of publication: Schneider, Christian; Groß, Sophie J; Demeshko, Serhiy; Bontemps, Sébastien; Meyer, Franc; Werncke, C. Gunnar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 82
• Pages of publication: 10751 - 10754
• a: 12.2287 ± 0.0005 Å
• b: 13.8939 ± 0.0006 Å
• c: 24.4874 ± 0.001 Å
• α: 96.877 ± 0.002°
• β: 100.914 ± 0.001°
• γ: 102.872 ± 0.002°
• Cell volume: 3925.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No