Information card for entry 4314245

Structure parameters

• Formula: C24 H18 Br N O4 P Re
• Calculated formula: C24 H18 Br N O4 P Re
• SMILES: [Re]1(Br)([P](c2ccccc2)(c2c(C3OCC[N]1=3)cccc2)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: 11.2502 ± 0.0011 Å
• b: 14.7436 ± 0.0015 Å
• c: 15.029 ± 0.002 Å
• α: 71.37 ± 0.011°
• β: 88.316 ± 0.01°
• γ: 87.786 ± 0.008°
• Cell volume: 2360.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No