Information card for entry 7005044

Structure parameters

• Formula: C18 H38 Cu N4 O12
• Calculated formula: C18 H38 Cu N4 O12
• SMILES: C1CC[N]2(CC(=O)O)[Cu]3456[N]1(CC(=O)O3)CC[N]5(CCC[N]4(CC2)CC(=O)O6)CC(=O)O.O.O.O.O
• Title of publication: Copper(II) cyclam-based complexes for radiopharmaceutical applications: synthesis and structural analysis.
• Authors of publication: Silversides, Jon D.; Allan, Cheryll C.; Archibald, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 9
• Pages of publication: 971 - 978
• a: 8.5304 ± 0.0015 Å
• b: 15.337 ± 0.003 Å
• c: 9.01 ± 0.002 Å
• α: 90°
• β: 90.472 ± 0.018°
• γ: 90°
• Cell volume: 1178.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0471
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No