Information card for entry 7250298

Structure parameters

• Formula: C21 H19 Br N3 O3 Re
• Calculated formula: C21 H19 Br N3 O3 Re
• Title of publication: Light-driven CO2 reduction with substituted imidazole-pyridine Re catalysts favoring formic acid production
• Authors of publication: Chafin, Ryan; Sujan, Majharul Islam; Parkin, Sean; Jurss, Jonah W.; Huckaba, Aron J.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 12547 - 12556
• a: 14.4135 ± 0.0006 Å
• b: 13.9657 ± 0.0005 Å
• c: 19.9434 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4014.5 ± 0.3 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No