Information card for entry 4304403

Structure parameters

• Common name: [TcO3(bpza)]
• Chemical name: (bis(pyrazol-1-yl)acetato-N,N',O)-trioxo-technetium(VII)
• Formula: C8 H7 N4 O5 Tc
• Calculated formula: C8 H7 N4 O5 Tc
• SMILES: [Tc]12(OC(=O)C(n3[n]1ccc3)n1[n]2ccc1)(=O)(=O)=O
• Title of publication: High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities
• Authors of publication: Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 257 - 264
• a: 11.7406 ± 0.0012 Å
• b: 8.1846 ± 0.0008 Å
• c: 11.3273 ± 0.0009 Å
• α: 90°
• β: 91.119 ± 0.011°
• γ: 90°
• Cell volume: 1088.26 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1103
• 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