Information card for entry 4327082

Structure parameters

• Formula: C24 H16 N3 O7 Re
• Calculated formula: C24 H16 N3 O7 Re
• SMILES: [Re]1([n]2ccccc2)([n]2c(cc(c3c2cccc3)C(=O)O)C(=O)O1)(C#[O])(C#[O])C#[O].c1ccncc1
• Title of publication: Tuning the Reactivity in Classic Low-Spin d6 Rhenium(I) Tricarbonyl Radiopharmaceutical Synthon by Selective Bidentate Ligand Variation (L,L'-Bid; L,L'=N,N', N,O, and O,O' Donor Atom Sets) in fac-[Re(CO)3(L,L'-Bid)(MeOH)]n Complexes
• Authors of publication: Marietjie Schutte; Gerdus Kemp; Hendrik G. Visser; Andreas Roodt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12486 - 12498
• a: 6.386 ± 0.005 Å
• b: 9.318 ± 0.005 Å
• c: 19.509 ± 0.005 Å
• α: 103.592 ± 0.005°
• β: 93.747 ± 0.005°
• γ: 95.85 ± 0.005°
• Cell volume: 1117.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No