Information card for entry 4311259

Structure parameters

• Formula: C23 H37 N4 O4 Tc
• Calculated formula: C23 H37 N4 O4 Tc
• Title of publication: Modeling Novel Radiopharmaceuticals: Mono-C6-Substituted PnAO Ligands (PnAO = 3,3,9,9-Tetramethyl-4,8-diazaundecane-2,10-dione Dioxime)
• Authors of publication: Paul S. Walker; Paul M. Bergin; Martin C. Grossel; Peter N. Horton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4145 - 4153
• a: 12.963 ± 0.003 Å
• b: 7.577 ± 0.002 Å
• c: 25.431 ± 0.005 Å
• α: 90°
• β: 91.89 ± 0.03°
• γ: 90°
• Cell volume: 2496.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No