Information card for entry 7250297

Structure parameters

• Formula: C21 H18 Br2 N3 O3 Re
• Calculated formula: C21 H18 Br2 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: 11.7322 ± 0.0003 Å
• b: 11.2485 ± 0.0002 Å
• c: 17.8809 ± 0.0004 Å
• α: 90°
• β: 104.108 ± 0.001°
• γ: 90°
• Cell volume: 2288.56 ± 0.09 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 6
• 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: 0.0179
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No