Information card for entry 4314244

Structure parameters

• Formula: C24 H22 Br N O4 P Re
• Calculated formula: C24 H22 Br N O4 P Re
• SMILES: [Re]1(Br)([P](c2ccccc2)(c2ccccc2C[NH]1CCO)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and Structural Characterization of Novel Re(I) Tricarbonyl Complexes Anchored on a Phosphinoarylbenzylamine and a Phosphinoaryloxazoline Generated in Situ
• Authors of publication: Torsten Kniess; João D. G. Correia; Ângela Domingos; Elisa Palma; Isabel Santos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6130 - 6135
• a: 11.2777 ± 0.001 Å
• b: 10.3652 ± 0.0008 Å
• c: 20.7153 ± 0.0017 Å
• α: 90°
• β: 105.742 ± 0.007°
• γ: 90°
• Cell volume: 2330.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0698
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No