Information card for entry 4303565

Structure parameters

• Formula: C15 H14 F3 N2 O7 Re S
• Calculated formula: C15 H14 F3 N2 O7 Re S
• SMILES: [Re]12([S](Cc3[n]1cccc3)C[C@H]([NH2]2)C(=O)OC)(C#[O])(C#[O])C#[O].O=C([O-])C(F)(F)F
• Title of publication: Investigation of the Coordination Interactions of S-(Pyridin-2-ylmethyl)-l-Cysteine Ligands with M(CO)3+ (M = Re, 99mTc)
• Authors of publication: Haiyang He; Jennifer E. Morley; Brendan Twamley; Ryan H. Groeneman; Dejan-Krešimir Bučǎr; Leonard R. MacGillivray; Paul D. Benny
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10625 - 10634
• a: 10.7633 ± 0.0012 Å
• b: 16.2152 ± 0.0017 Å
• c: 33.494 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5845.7 ± 1.1 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No