Information card for entry 1563812

Structure parameters

• Formula: C17 H16 Cl N2 O3.5 Re
• Calculated formula: C17 H16 Cl N2 O3.5 Re
• Title of publication: Photocatalytic Deoxygenation of N‒O bonds with Rhenium Complexes: from the Reduction of Nitrous Oxide to Pyridine N-Oxides
• Authors of publication: Kjellberg, Marianne; Ohleier, Alexia; Thuéry, Pierre; Nicolas, Emmanuel; Anthore-Dalion, Lucile; Cantat, Thibault
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 13.4935 ± 0.001 Å
• b: 22.1756 ± 0.0017 Å
• c: 11.2515 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3366.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.507
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No