Information card for entry 4327182

Structure parameters

• Formula: C22 H36 Cu F12 N8 O P2
• Calculated formula: C22 H36 Cu F12 N8 O P2
• Title of publication: Copper, Nickel, and Zinc Cyclam-Amino Acid and Cyclam-Peptide Complexes May Be Synthesized with "Click" Chemistry and Are Noncytotoxic
• Authors of publication: Mingfeng Yu; Jason R. Price; Paul Jensen; Carrie J. Lovitt; Todd Shelper; Sandra Duffy; Louisa C. Windus; Vicky M. Avery; Peter J. Rutledge; Matthew H. Todd
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12823 - 12835
• a: 9.451 ± 0.001 Å
• b: 21.342 ± 0.002 Å
• c: 15.342 ± 0.002 Å
• α: 90°
• β: 95.237 ± 0.001°
• γ: 90°
• Cell volume: 3081.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No