Information card for entry 4304402

Structure parameters

• Common name: [TcO3Cl(phen)]
• Chemical name: Chloro-trioxo-1,10-phenanthroline-technetium(VII)
• Formula: C12 H8 Cl N2 O3 Tc
• Calculated formula: C12 H8 Cl N2 O3 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: 7.5144 ± 0.0002 Å
• b: 11.616 ± 0.0002 Å
• c: 13.9303 ± 0.0003 Å
• α: 90°
• β: 97.2381 ± 0.0018°
• γ: 90°
• Cell volume: 1206.25 ± 0.05 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No