Information card for entry 4111214

Structure parameters

• Formula: C6 H7 N2 O5 Re
• Calculated formula: C6 H7 N2 O5 Re
• SMILES: [Re]12([NH2]C(C(=O)O2)C[NH2]1)(C#[O])(C#[O])C#[O]
• Title of publication: Amino Acids Labeled with [99mTc(CO)3]+ and Recognized by thel-type Amino Acid Transporter LAT1
• Authors of publication: Yu Liu; Jae Kyoung Pak; Paul Schmutz; Matthias Bauwens; John Mertens; Hector Knight; Roger Alberto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15996 - 15997
• a: 12.62 ± 0.0016 Å
• b: 9.711 ± 0.001 Å
• c: 15.3682 ± 0.0019 Å
• α: 90°
• β: 99.605 ± 0.015°
• γ: 90°
• Cell volume: 1857 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.0651
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No