Information card for entry 7132481

Structure parameters

• Formula: C38 H39 F3 Fe N10 O3 S
• Calculated formula: C38 H39 F3 Fe N10 O3 S
• Title of publication: Influence of a neighbouring Cu centre on electro- and photocatalytic CO₂ reduction by Fe-Mabiq.
• Authors of publication: Rickmeyer, Kerstin; Huber, Matthias; Hess, Corinna R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 7
• Pages of publication: 819 - 822
• a: 12.8059 ± 0.0019 Å
• b: 16.387 ± 0.002 Å
• c: 20.403 ± 0.003 Å
• α: 90°
• β: 105.269 ± 0.006°
• γ: 90°
• Cell volume: 4130.4 ± 1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No