Information card for entry 4311262

Structure parameters

• Formula: C20 H35 B Cu F4 N4 O3
• Calculated formula: C20 H35 B Cu F4 N4 O3
• SMILES: [Cu]123([OH2])[N](O)=C(C([NH]3CC(C[NH]2C(C(=N1=O)C)(C)C)Cc1ccccc1)(C)C)C.[B](F)(F)(F)[F-]
• 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: 14.336 ± 0.003 Å
• b: 18.443 ± 0.004 Å
• c: 18.931 ± 0.004 Å
• α: 90°
• β: 99.52 ± 0.03°
• γ: 90°
• Cell volume: 4936.4 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No