Information card for entry 1550581

Structure parameters

• Formula: C18 H26 Ag N7 O13
• Calculated formula: C18 H26 Ag N6 O10
• Title of publication: Addressing the Properties of “Metallo-DNA” with a Ag(I)-Mediated Supramolecular Duplex
• Authors of publication: houlton, andrew; Mistry, Liam; El-Zubir, Osama; Horrocks, Ben R.; Dura, Gema; Clegg, William; Waddell, Paul G.; Hofer, Werner; pope, thomas; Wright, Nicholas
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 30.382 ± 0.007 Å
• b: 30.382 ± 0.007 Å
• c: 14.976 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11972 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.25
• Weighted residual factors for all reflections included in the refinement: 0.2777
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No