Information card for entry 4349233

Structure parameters

• Common name: (DippN)ReCl2(MAD)(PEt3)
• Formula: C35 H56 Cl2 N2 P Re
• Calculated formula: C35 H56 Cl2 N2 P Re
• SMILES: C1(C)=CC(C)=[N](c2c(C(C)C)cccc2C(C)C)[Re]1(=Nc1c(C(C)C)cccc1C(C)C)([P](CC)(CC)CC)(Cl)Cl
• 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: 12.029 ± 0.002 Å
• b: 14.262 ± 0.003 Å
• c: 22.8 ± 0.005 Å
• α: 107.39 ± 0.03°
• β: 105.24 ± 0.03°
• γ: 90.02 ± 0.03°
• Cell volume: 3588.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0515
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No