Information card for entry 2232413

Structure parameters

• Chemical name: <i>fac</i>-Tricarbonyl(pyridine-κ<i>N</i>)(1,1,1-trifluoroacetylacetonato- κ^2^<i>O</i>,<i>O</i>')rhenium(I)
• Formula: C13 H9 F3 N O5 Re
• Calculated formula: C13 H9 F3 N O5 Re
• SMILES: C1(=CC(C(F)(F)F)=[O][Re](C#[O])(C#[O])(C#[O])([n]2ccccc2)O1)C
• Title of publication: <i>fac</i>-Tricarbonyl(pyridine-κ<i>N</i>)(1,1,1-trifluoroacetylacetonato-κ^2^<i>O</i>,<i>O</i>')rhenium(I)
• Authors of publication: Visser, Hendrik G.; Roodt, Andreas; Volmink, Amanda-lee; Kemp, Gerdus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1631
• a: 15.561 ± 0.002 Å
• b: 6.982 ± 0.003 Å
• c: 14.082 ± 0.005 Å
• α: 90°
• β: 103.271 ± 0.005°
• γ: 90°
• Cell volume: 1489.1 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0323
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes