Information card for entry 7112213

Structure parameters

• Common name: [TcO3(Me3tach)][TcO4]
• Formula: C13 H32 Br4 Cl2 N6 O11 Tc4
• Calculated formula: C13 H32 Br4 Cl2 N6 O11 Tc4
• SMILES: [Tc]12(=O)(=O)(=O)[N]3(C[N]1(C[N]2(C3)C)C)C.[Tc]12(=O)(=O)(=O)[N]3(C[N]1(C[N]2(C3)C)C)C.[Tc](=O)(=O)(=O)O[Tc](=O)(Br)(Br)(Br)Br.C(Cl)Cl
• Title of publication: Activation of [^99(m)^TcO4]^-^ by phosphonium cations
• Authors of publication: Henrik Braband; Michael Benz; Yuji Tooyama; Roger Alberto
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4126
• a: 10.6731 ± 0.0003 Å
• b: 12.5422 ± 0.0004 Å
• c: 13.5332 ± 0.0003 Å
• α: 109.775 ± 0.003°
• β: 97.616 ± 0.002°
• γ: 96.984 ± 0.003°
• Cell volume: 1662.62 ± 0.09 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No