Information card for entry 4350441

Structure parameters

• Common name: TcCl4(OPPh3)2
• Chemical name: tetrachlorobis(triphenylphosphine oxide)technetium(IV)
• Formula: C36 H30 Cl4 O2 P2 Tc
• Calculated formula: C36 H30 Cl4 O2 P2 Tc
• SMILES: [O](=P(c1ccccc1)(c1ccccc1)c1ccccc1)[Tc](Cl)(Cl)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)Cl
• 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: 13.896 ± 0.001 Å
• b: 12.993 ± 0.001 Å
• c: 19.412 ± 0.002 Å
• α: 90°
• β: 95.82 ± 0.01°
• γ: 90°
• Cell volume: 3486.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No