Information card for entry 1550204

Structure parameters

• Formula: C80 H112 Ag8 Cl8 N48 O48
• Calculated formula: C80 H112 Ag8 Cl7 N48 O44
• Title of publication: Multifunctional Behavior of Molecules Comprising Stacked Cytosine-AgI-Cytosine Base Pairs; Towards Conducting and Photoluminescence Silver-DNA Nanowires
• Authors of publication: Linares, Fátima; Garcia-Fernandez, Emilio; López-Garzón, F Javier; Domingo-Garcia, Maria; Orte, Angel; Rodríguez Diéguez, Antonio; Galindo Cuesta, Miguel Angel
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 21.9528 ± 0.0019 Å
• b: 22.8449 ± 0.0016 Å
• c: 26.174 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13126.5 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1115
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No