Information card for entry 4328753

Structure parameters

• Common name: Na2[Re(nota)(CO)3]
• Formula: C15 H23 N3 Na2 O11.5 Re
• Calculated formula: C15 H20 N3 Na2 O11.5 Re
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[N]3(CC[N]1(CC[N]2(CC3)CC(=O)[O-])CC(=O)[O-])CC([O-])=O.[Na+].[Na+].O.O.O
• Title of publication: Combining Bifunctional Chelator with (3 + 2)-Cycloaddition Approaches: Synthesis of Dual-Function Technetium Complexes
• Authors of publication: Henrik Braband; Sebastian Imstepf; Michael Benz; Bernhard Spingler; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4051 - 4057
• a: 7.7667 ± 0.0005 Å
• b: 11.9159 ± 0.0008 Å
• c: 12.1265 ± 0.0006 Å
• α: 109.724 ± 0.005°
• β: 95.71 ± 0.005°
• γ: 90.975 ± 0.005°
• Cell volume: 1049.65 ± 0.12 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No