Information card for entry 7239999

Structure parameters

• Formula: C14 H8 N3 O6 Re
• Calculated formula: C14 H8 N3 O6 Re
• SMILES: [Re]1(Oc2c3[n]1cccc3c(N(=O)=O)cc2)([N]#CC)(C#[O])(C#[O])C#[O]
• Title of publication: Rhenium(i) complexation‒dissociation strategy for synthesising fluorine-18 labelled pyridine bidentate radiotracers
• Authors of publication: Klenner, Mitchell A.; Zhang, Bo; Ciancaleoni, Gianluca; Howard, James K.; Maynard-Casely, Helen E.; Clegg, Jack K.; Massi, Massimiliano; Fraser, Benjamin H.; Pascali, Giancarlo
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 8853 - 8865
• a: 13.0671 ± 0.0004 Å
• b: 15.9871 ± 0.0005 Å
• c: 7.5731 ± 0.0002 Å
• α: 90°
• β: 96.415 ± 0.003°
• γ: 90°
• Cell volume: 1572.15 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No