Information card for entry 2102536

Structure parameters

• Chemical name: tris(1,2-Di-imidobenzene)-technetium(vii) pertechnetate
• Formula: C18 H18 N6 O4 Tc2
• Calculated formula: C18 N6 Tc2
• SMILES: c12c(cccc2)N[Tc]23(N1)(Nc1ccccc1N3)Nc1ccccc1N2.[Tc](=O)(=O)(=O)[O-]
• Title of publication: 30 Space-group corrections: two examples of false polymorphism and one of incorrect interpretation of the fine details of an IR spectrum
• Authors of publication: Prof. Clemente Dore Augusto; Prof. Marzotto Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: 287 - 292
• a: 13.869 ± 0.004 Å
• b: 10.851 ± 0.003 Å
• c: 12.799 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1926.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.1215
• Weighted residual factors for significantly intense reflections: 0.6052
• Weighted residual factors for all reflections included in the refinement: 0.6059
• Goodness-of-fit parameter for all reflections included in the refinement: 3.25
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No