Information card for entry 4328754

Structure parameters

• Formula: C24 H53 N6 Na3 O26 Tc2
• Calculated formula: C24 H52 N6 Na3 O26 Tc2
• SMILES: [Tc]12(=O)(=O)(=O)[N]3(CC[N]1(CC[N]2(CC3)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Tc]12(=O)(=O)(=O)[N]3(CC[N]1(CC[N]2(CC3)CC(=O)[O-])CC(=O)[O-])CC(=O)O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+]
• 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: 6.4835 ± 0.0002 Å
• b: 14.2176 ± 0.0005 Å
• c: 14.3398 ± 0.0005 Å
• α: 66.044 ± 0.004°
• β: 87.183 ± 0.003°
• γ: 89.303 ± 0.003°
• Cell volume: 1206.47 ± 0.08 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: 0.0796
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No