Information card for entry 7712553

Structure parameters

• Formula: C65 H76 Cl3 F N2 O P Re
• Calculated formula: C65 H76 Cl3 F N2 O P Re
• SMILES: [Re](Cl)(Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=Nc1ccc(F)cc1)C#[N]c1c(c2c(cc(C(C)C)cc2C(C)C)C(C)C)cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C.O1CCCC1
• 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: 10.858 ± 0.002 Å
• b: 14.422 ± 0.003 Å
• c: 20.631 ± 0.004 Å
• α: 77.64 ± 0.03°
• β: 75.03 ± 0.03°
• γ: 81.35 ± 0.03°
• Cell volume: 3033.2 ± 1.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.755
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No