Information card for entry 7018203

Structure parameters

• Formula: Br4 Cs1.11 O1.78 Tc
• Calculated formula: Br4 Cs1.111 O1.781 Tc
• Title of publication: Multi-configurational quantum chemical studies of the Tc(2)X(8)(n-) (X = Cl, Br; n = 2, 3) anions. Crystallographic structure of octabromoditechnetate(3(-)).
• Authors of publication: Poineau, Frederic; Forster, Paul M.; Todorova, Tanya K.; Gagliardi, Laura; Sattelberger, Alfred P.; Czerwinski, Kenneth R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 2869 - 2872
• a: 13.571 ± 0.003 Å
• b: 13.571 ± 0.003 Å
• c: 9.322 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1486.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No