Information card for entry 7712557

Structure parameters

• Formula: C31 H23 Cl3 F2 N2 P Re
• Calculated formula: C31 H23 Cl3 F2 N2 P Re
• SMILES: [Re](Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[N]c1ccc(cc1)F)(=Nc1ccc(cc1)F)Cl
• 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: 11.17 ± 0.002 Å
• b: 21.178 ± 0.004 Å
• c: 12.895 ± 0.003 Å
• α: 90°
• β: 103.82 ± 0.03°
• γ: 90°
• Cell volume: 2962.1 ± 1.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0663
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No