Information card for entry 7712555

Structure parameters

• Formula: C31 H24 Cl3 F N2 P Re
• Calculated formula: C31 H24 Cl3 F N2 P Re
• SMILES: [Re]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[N]c1ccccc1)(Cl)(Cl)(Cl)=Nc1ccc(F)cc1
• 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: 12.4219 ± 0.0009 Å
• b: 11.5944 ± 0.0008 Å
• c: 20.6804 ± 0.0016 Å
• α: 90°
• β: 106.88 ± 0.003°
• γ: 90°
• Cell volume: 2850.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No