Information card for entry 4327181

Structure parameters

• Formula: C21 H40 Cl2 N8 Ni O11
• Calculated formula: C21 H40 Cl2 N8 Ni O11
• 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: 10.9527 ± 0.0005 Å
• b: 8.636 ± 0.0004 Å
• c: 16.0493 ± 0.0006 Å
• α: 90°
• β: 95.49 ± 0.002°
• γ: 90°
• Cell volume: 1511.1 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No