Information card for entry 1517516

Structure parameters

• Common name: [Tc(mesitylene)2]PF6
• Formula: C18 H24 F6 P Tc
• Calculated formula: C18 H24 F6 P Tc
• SMILES: [Tc]123456789%10([c]%11([cH]1[c]2([cH]3[c]4([cH]5%11)C)C)C)[c]1([cH]6[c]7([cH]8[c]9([cH]%101)C)C)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: 9.2697 ± 0.0005 Å
• b: 13.0695 ± 0.0016 Å
• c: 15.815 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1916 ± 0.8 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No