Information card for entry 1517514

Structure parameters

• Common name: [Tc(benzol)2]PF6
• Formula: C12 H12 F6 P Tc
• Calculated formula: C12 H12 F6 P Tc
• Title of publication: From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate
• Authors of publication: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 165
• a: 13.8831 ± 0.0007 Å
• b: 9.8745 ± 0.0005 Å
• c: 9.719 ± 0.0006 Å
• α: 90°
• β: 94.232 ± 0.005°
• γ: 90°
• Cell volume: 1328.73 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No