Information card for entry 7712551

Structure parameters

• Formula: C80 H102 Cl3 F N3 Re
• Calculated formula: C80 H102 Cl3 F N3 Re
• Title of publication: Phenylimido Complexes of Rhenium: Fluorine Substituents Provide Protection, Reactivity and Solubility
• Authors of publication: Claude, Guilhem; Kulitzki, Erika; Hagenbach, Adelheid; Roca Jungfer, Maximilian; Figueroa, Joshua S.; Abram, Ulrich
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 24.4087 ± 0.0009 Å
• b: 25.0277 ± 0.0007 Å
• c: 28.2885 ± 0.0013 Å
• α: 90°
• β: 108.962 ± 0.003°
• γ: 90°
• Cell volume: 16343.5 ± 1.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• 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: 0.113
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No