Information card for entry 7720956

Structure parameters

• Chemical name: Re-tricarbonyl complex
• Formula: C29 H20 Br Fe N2 O3 Re
• Calculated formula: C29 H20 Br Fe N2 O3 Re
• Title of publication: CO2 Photoreduction by 4-Ferrocenyl Appended Bipyridine Coordinated Re(I) Complexes
• Authors of publication: Saha, Shriya; Gil-Gavilán, Dolores Gema; Gutmann, Matthias J.; Manna, Debasish; Roy, Souvik; Mitra, Raja
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 12.7797 ± 0.0011 Å
• b: 10.8637 ± 0.0008 Å
• c: 19.3382 ± 0.0015 Å
• α: 90°
• β: 99.81 ± 0.003°
• γ: 90°
• Cell volume: 2645.6 ± 0.4 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 7
• 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: 0.0275
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0524
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No