Information card for entry 4307695

Structure parameters

• Formula: C12 H18 Cu N4 O4
• Calculated formula: C12 H18 Cu N4 O4
• SMILES: N12C(=O)C[NH]3CC[NH]4CC(=O)N(c5ccccc15)[Cu]234[OH2].O
• Title of publication: Copper Complexes of New Benzodioxotetraaza Macrocycles with Potential Applications in Nuclear Medicine
• Authors of publication: Patricia Antunes; Rita Delgado; Michael G. B. Drew; Vitor Félix; Helmut Maecke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 3144 - 3153
• a: 6.771 ± 0.0018 Å
• b: 10.205 ± 0.0015 Å
• c: 10.2277 ± 0.0014 Å
• α: 90°
• β: 103.509 ± 0.017°
• γ: 90°
• Cell volume: 687.2 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No