Information card for entry 7005046

Structure parameters

• Formula: C14 H32 Cl2 Cu N4 O12
• Calculated formula: C14 H32 Cl2 Cu N4 O12
• SMILES: [Cu]1234[N]56CCC[N]1(CC[NH]2CCC[N]3(CC5)CC6)CC(=[O]4)O.Cl(=O)(=O)(=O)[O-].Cl(=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: 14.064 ± 0.0015 Å
• b: 9.473 ± 0.0011 Å
• c: 17.359 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2312.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1522
• Residual factor for significantly intense reflections: 0.1132
• Weighted residual factors for significantly intense reflections: 0.2791
• Weighted residual factors for all reflections included in the refinement: 0.3102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No