Information card for entry 7129039

Structure parameters

• Formula: C36 H80 Fe2 K2 N2 O12 S2 Si4
• Calculated formula: C36 H80 Fe2 K2 N2 O12 S2 Si4
• 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: 14.4769 ± 0.0008 Å
• b: 10.6369 ± 0.0006 Å
• c: 20.1652 ± 0.0011 Å
• α: 90°
• β: 96.305 ± 0.002°
• γ: 90°
• Cell volume: 3086.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No