Information card for entry 4350445

Structure parameters

• Common name: [TcCl3(DMSO)3]2[TcCl6]
• Chemical name: trichlorotris(dimethylsulfoxide)technetium(IV)) hexachlorotechnetate(IV)
• Formula: C12 H36 Cl12 O6 S6 Tc3
• Calculated formula: C12 H36 Cl12 O6 S6 Tc3
• SMILES: CS(C)=[O][Tc]([O]=S(C)C)([O]=S(C)C)(Cl)(Cl)Cl.Cl[Tc](Cl)(Cl)(Cl)([Cl-])[Cl-].CS(C)=[O][Tc]([O]=S(C)C)([O]=S(C)C)(Cl)(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: 8.703 ± 0.001 Å
• b: 8.968 ± 0.001 Å
• c: 13.901 ± 0.002 Å
• α: 104.28 ± 0.01°
• β: 100.53 ± 0.01°
• γ: 93.59 ± 0.01°
• Cell volume: 1027.1 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No