Information card for entry 4304404

Structure parameters

• Formula: C14 H19 N4 O5 Tc
• Calculated formula: C14 H19 N4 O5 Tc
• Title of publication: High-Valent Technetium Complexes with the [99TcO3]+ Core from in Situ Prepared Mixed Anhydrides of [99TcO4]- and Their Reactivities
• Authors of publication: Yuji Tooyama; Henrik Braband; Bernhard Spingler; Ulrich Abram; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 257 - 264
• a: 7.2448 ± 0.0002 Å
• b: 8.5727 ± 0.0002 Å
• c: 12.7729 ± 0.0003 Å
• α: 89.856 ± 0.002°
• β: 80.937 ± 0.002°
• γ: 84.641 ± 0.002°
• Cell volume: 779.9 ± 0.03 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0251
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No