Information card for entry 4103493

Structure parameters

• Formula: C4 H6 Cl4 O4 Tc2
• Calculated formula: C4 H6 Cl4 O4 Tc2
• SMILES: O1[Tc]2(Cl)([O]=C(C)O[Tc]2([O]=C1C)(Cl)Cl)Cl
• Title of publication: Synthesis and Structure of Technetium Trichloride
• Authors of publication: Frederic Poineau; Erik V. Johnstone; Philippe F. Weck; Eunja Kim; Paul M. Forster; Brian L. Scott; Alfred P. Sattelberger; Kenneth R. Czerwinski
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15864 - 15865
• a: 6.0303 ± 0.0012 Å
• b: 6.5098 ± 0.0013 Å
• c: 8.3072 ± 0.0016 Å
• α: 112.082 ± 0.002°
• β: 96.667 ± 0.003°
• γ: 108.792 ± 0.003°
• Cell volume: 275.42 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No