Information card for entry 4329156

Structure parameters

• Formula: Cl3 Tc
• Calculated formula: Cl3 Tc
• SMILES: [Tc+3].[Cl-].[Cl-].[Cl-]
• Title of publication: β-Technetium Trichloride: Formation, Structure, and First-Principles Calculations
• Authors of publication: Frederic Poineau; Erik V. Johnstone; Philippe F. Weck; Paul M. Forster; Eunja Kim; Kenneth R. Czerwinski; Alfred P. Sattelberger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4915 - 4917
• a: 5.986 ± 0.003 Å
• b: 9.725 ± 0.005 Å
• c: 6.194 ± 0.003 Å
• α: 90°
• β: 108.687 ± 0.006°
• γ: 90°
• Cell volume: 341.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1765
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No