Information card for entry 1576784

Structure parameters

• Chemical name: C52H53BF24FeN2OP2
• Formula: C52 H52 B F24 Fe N2 O P2
• Calculated formula: C52 H52 B F24 Fe N2 O P2
• Title of publication: Metal–Metal vs Metal–Ligand Cooperation in Iron-Mediated Activation and Catalytic Reduction of Nitrous Oxide and Nitrobenzene
• Authors of publication: Jori, Nadir; Corona, Helena; Soto, Enrique; Fernandez, Israel; Campos, Jesús
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 12.4178 ± 0.0015 Å
• b: 12.6184 ± 0.0015 Å
• c: 18.884 ± 0.002 Å
• α: 102.952 ± 0.004°
• β: 92.919 ± 0.004°
• γ: 95.205 ± 0.004°
• Cell volume: 2864.1 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0678
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No