Information card for entry 4307466

Structure parameters

• Formula: C9 H15 N2 O9 Re S
• Calculated formula: C9 H15 N2 O9 Re S
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[NH2][C@H](C[S]2C[C@@H](C(=O)[O-])[NH2]1)C(=O)O.O.O
• Title of publication: Rhenium Analogues of Promising Renal Imaging Agents with a {99mTc(CO)3}+ Core Bound to Cysteine-Derived Dipeptides, Including Lanthionine
• Authors of publication: Haiyang He; Malgorzata Lipowska; Xiaolong Xu; Andrew T. Taylor; Luigi G. Marzilli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3385 - 3394
• a: 8.6594 ± 0.0008 Å
• b: 19.563 ± 0.0018 Å
• c: 8.9757 ± 0.0008 Å
• α: 90°
• β: 104.032 ± 0.002°
• γ: 90°
• Cell volume: 1475.1 ± 0.2 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: 0.039
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No