Information card for entry 7017955

Structure parameters

• Formula: C15 H40 Cu N4 O10.5 P
• Calculated formula: C15 H40 Cu N4 O10.5 P
• SMILES: C1C[N]23CCC[N]45CC[N]67CCC[N]1(CC4)[Cu]357(OP(O)(=O)C2)OC(=O)C6.O.O.O.O.O.O
• Title of publication: Synthesis, Cu(ii) complexation, (64)Cu-labeling and biological evaluation of cross-bridged cyclam chelators with phosphonate pendant arms.
• Authors of publication: Ferdani, Riccardo; Stigers, Dannon J.; Fiamengo, Ashley L.; Wei, Lihui; Li, Barbara T. Y.; Golen, James A.; Rheingold, Arnold L.; Weisman, Gary R.; Wong, Edward H.; Anderson, Carolyn J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 7
• Pages of publication: 1938 - 1950
• a: 10.1989 ± 0.0019 Å
• b: 35.067 ± 0.007 Å
• c: 12.943 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4629 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No