Information card for entry 4518364

Structure parameters

• Formula: C31 H27 Cl2 F12.43 Fe N7 P2
• Calculated formula: C31 H27 Cl2 F12.43 Fe N7 P2
• Title of publication: An Iron Pyridyl-Carbene Electrocatalyst for Low Overpotential CO2 Reduction to CO
• Authors of publication: Gonell, Sergio; Lloret-Fillol, Julio; Miller, Alexander J. M.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 615 - 626
• a: 13.7127 ± 0.0002 Å
• b: 17.4292 ± 0.0003 Å
• c: 16.0993 ± 0.0002 Å
• α: 90°
• β: 107.938 ± 0.001°
• γ: 90°
• Cell volume: 3660.72 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.086
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No