Information card for entry 4311261

Structure parameters

• Formula: C20 H33 Co N6 O6
• Calculated formula: C20 H33 Co N6 O6
• SMILES: [Co]123([NH](C(C(=[N]1O)C)(C)C)CC(C[NH]2C(C(=N3=O)C)(C)C)Cc1ccccc1)(N(=O)=O)N(=O)=O
• 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: 10.867 ± 0.002 Å
• b: 12.248 ± 0.002 Å
• c: 9.617 ± 0.002 Å
• α: 103.64 ± 0.03°
• β: 93.66 ± 0.03°
• γ: 71.47 ± 0.03°
• Cell volume: 1179.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No