Information card for entry 7240003

Structure parameters

• Formula: C13 H7 Cl2 N2 O3 Re
• Calculated formula: C13 H7 Cl2 N2 O3 Re
• SMILES: [Re]1(Cl)([n]2c(cccc2Cl)c2[n]1cccc2)(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: 14.655 ± 0.003 Å
• b: 10.996 ± 0.002 Å
• c: 9.092 ± 0.0018 Å
• α: 90°
• β: 107.76 ± 0.03°
• γ: 90°
• Cell volume: 1395.3 ± 0.5 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: 0.059
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No