Information card for entry 2227116

Structure parameters

• Chemical name: tripotassium <i>trans</i>-tetracyanidodioxidotechnetate(V)
• Formula: C4 K3 N4 O2 Tc
• Calculated formula: C4 K3 N4 O2 Tc
• SMILES: [Tc](=O)(=O)(C#N)(C#N)(C#N)C#N.[K+].[K+].[K+]
• Title of publication: <i>trans</i>-K~3~[TcO~2~(CN)~4~]
• Authors of publication: Chatterjee, Sayandev; Del Negro, Andrew S.; Edwards, Matthew K.; Twamley, Brendan; Krause, Jeanette A.; Bryan, Samuel A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: i61 - i62
• a: 6.2539 ± 0.0006 Å
• b: 6.9389 ± 0.0006 Å
• c: 7.4347 ± 0.0007 Å
• α: 108.305 ± 0.001°
• β: 109.816 ± 0.002°
• γ: 104.143 ± 0.001°
• Cell volume: 265.01 ± 0.04 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0204
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes