Information card for entry 4350443

Structure parameters

• Common name: [{TcCl3(CH3CN)2}2O]
• Chemical name: Mu2-oxobis(diacetonitriletrichlorotechnetium(IV)
• Formula: C8 H12 Cl6 N4 O Tc2
• Calculated formula: C8 H12 Cl6 N4 O Tc2
• SMILES: [N]([Tc](Cl)(Cl)(O[Tc]([N]#CC)([N]#CC)(Cl)(Cl)Cl)([N]#CC)Cl)#CC
• Title of publication: Technetium tetrachloride as a precursor for small technetium(IV) complexes.
• Authors of publication: Hagenbach, Adelheid; Yegen, Eda; Abram, Ulrich
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7331 - 7338
• a: 10.0719 ± 0.0003 Å
• b: 10.0719 ± 0.0003 Å
• c: 44.724 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3929.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No