Information card for entry 4324346

Structure parameters

• Formula: C16 H15 F N4 O3 Tc
• Calculated formula: C16 N4 O3 Tc
• SMILES: [Tc]12(ON=C(c3ccccc3)N2C)(N(C)C(=NO1)c1ccccc1)=O
• Title of publication: Insight into Technetium Amidoxime Complex: Oxo Technetium(V) Complex of N-Substituted Benzamidoxime as New Basic Structure for Molecular Imaging
• Authors of publication: Khajadpai Thipyapong; Tomoya Uehara; Yuji Tooyama; Henrik Braband; Roger Alberto; Yasushi Arano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 992 - 998
• a: 13.4823 ± 0.0005 Å
• b: 15.541 ± 0.0007 Å
• c: 7.7907 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1632.37 ± 0.11 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No