Information card for entry 7027939

Structure parameters

• Formula: C14 H38 Cl0.5 Cu N4 Na0.5 O10 P2
• Calculated formula: C14 H34 Cl0.5 Cu N4 Na0.5 O10 P2
• Title of publication: A new phosphonate pendant-armed cross-bridged tetraamine chelator accelerates copper(ii) binding for radiopharmaceutical applications
• Authors of publication: Stigers, Dannon J.; Ferdani, Riccardo; Weisman, Gary R.; Wong, Edward H.; Anderson, Carolyn J.; Golen, James A.; Moore, Curtis; Rheingold, Arnold L.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 1699 - 1701
• a: 9.5428 ± 0.0005 Å
• b: 15.5173 ± 0.0007 Å
• c: 16.924 ± 0.001 Å
• α: 80.039 ± 0.004°
• β: 81.081 ± 0.004°
• γ: 89.874 ± 0.003°
• Cell volume: 2437.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No