Information card for entry 7712548

Structure parameters

• Formula: C66.5 H66 Cl3 F N3 Re
• Calculated formula: C56 H54 Cl3 F N3 Re
• SMILES: [Re](Cl)(Cl)(Cl)(=Nc1ccc(F)cc1)(C#[N]c1c(c2c(cc(cc2C)C)C)cccc1c1c(cc(cc1C)C)C)C#[N]c1c(c2c(cc(cc2C)C)C)cccc1c1c(cc(cc1C)C)C
• 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: 12.5541 ± 0.0007 Å
• b: 13.5237 ± 0.0007 Å
• c: 20.8711 ± 0.0012 Å
• α: 77.386 ± 0.004°
• β: 86.283 ± 0.004°
• γ: 64.117 ± 0.004°
• Cell volume: 3109.2 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No