Information card for entry 7027940

Structure parameters

• Formula: C14 H41 Cl N4 O10 P2
• Calculated formula: C14 H41 Cl N4 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: 11.5219 ± 0.0016 Å
• b: 11.7468 ± 0.0016 Å
• c: 9.6554 ± 0.0013 Å
• α: 90°
• β: 115.254 ± 0.003°
• γ: 90°
• Cell volume: 1181.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No