Information card for entry 4324047

Structure parameters

• Common name: Ditechnetium tetrachloro tetra(dimethylphenylhosphine) hexafluorophsphate
• Chemical name: Ditechnetium tetrachloro tetra(dimethylphenylhosphine) hexafluorophsphate
• Formula: C32 H44 Cl4 F6 P5 Tc2
• Calculated formula: C32 H44 Cl4 F6 P5 Tc2
• SMILES: [Tc]([Tc](Cl)(Cl)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1)(Cl)(Cl)([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Metal-Metal Multiply-Bonded Complexes of Technetium. 3.1 Preparation and Characterization of Phosphine Complexes of Technetium Possessing a Metal-Metal Bond Order of 3.5
• Authors of publication: F. Albert Cotton; Steven C. Haefner; Alfred P. Sattelberger
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 1831 - 1838
• a: 12.799 ± 0.004 Å
• b: 18.254 ± 0.002 Å
• c: 17.945 ± 0.005 Å
• α: 90°
• β: 96.393 ± 0.013°
• γ: 90°
• Cell volume: 4166.5 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1017
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.1493
• Weighted residual factors for significantly intense reflections: 0.1239
• Goodness-of-fit parameter for all reflections: 1.017
• Goodness-of-fit parameter for significantly intense reflections: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No