Information card for entry 4349231

Structure parameters

• Common name: OReCl2(BDI)(PEt3)
• Formula: C38 H63 Cl2 N2 O P Re
• Calculated formula: C38 H63 Cl2 N2 O P Re
• Title of publication: Oxygen Atom Transfer and Intramolecular Nitrene Transfer in a Rhenium β-Diketiminate Complex.
• Authors of publication: Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11993 - 12000
• a: 9.8643 ± 0.0007 Å
• b: 22.9718 ± 0.0019 Å
• c: 17.4389 ± 0.0014 Å
• α: 90°
• β: 93.44 ± 0.004°
• γ: 90°
• Cell volume: 3944.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0544
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No