Information card for entry 1517515

Structure parameters

• Common name: [Tc(toluene)2]PF6
• Formula: C14 H16 F6 P Tc
• Calculated formula: C14 H16 F6 P Tc
• SMILES: [Tc]123456789%10([c]%11([cH]1[cH]3[cH]5[cH]7[cH]9%11)C)[c]1([cH]2[cH]4[cH]6[cH]8[cH]%101)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 7.7559 ± 0.0008 Å
• b: 11.003 ± 0.0008 Å
• c: 8.9353 ± 0.0008 Å
• α: 90°
• β: 98.474 ± 0.009°
• γ: 90°
• Cell volume: 754.2 ± 0.12 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: 0.0609
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No