Information card for entry 4327080

Structure parameters

• Formula: C21 H14 N4 O7 Re
• Calculated formula: C21 H14 N4 O7 Re
• 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: 10.917 ± 0.005 Å
• b: 11.269 ± 0.005 Å
• c: 17.271 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.675 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2124.6 ± 1.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No