Information card for entry 7129040

Structure parameters

• Formula: C25 H58 Fe K N2 O6 S3 Si4
• Calculated formula: C25 H60 Fe K N2 O6 S3 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: 13.1814 ± 0.0007 Å
• b: 17.5638 ± 0.0008 Å
• c: 19.7643 ± 0.0009 Å
• α: 65.201 ± 0.001°
• β: 87.028 ± 0.001°
• γ: 83.569 ± 0.001°
• Cell volume: 4127.6 ± 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: 0.0966
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No