Information card for entry 4311263

Structure parameters

• Formula: C22 H39 B Cu F4 N4 O4
• Calculated formula: C22 H39 B Cu F4 N4 O4
• SMILES: [Cu]123([NH](C(C(=N3=O)C)(C)C)CC(CCc3ccc(OC)cc3)C[NH]1C(C(=[N]2O)C)(C)C)[OH2].[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: 22.067 ± 0.004 Å
• b: 19.047 ± 0.004 Å
• c: 12.928 ± 0.003 Å
• α: 90°
• β: 104.04 ± 0.03°
• γ: 90°
• Cell volume: 5271 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No