Information card for entry 1570154

Structure parameters

• Formula: C20 H32 Au Cl N10 O11 S2
• Calculated formula: C20 H30 Au Cl N10 O11 S2
• Title of publication: Vesicles, fibres, films and crystals: A low-molecular-weight-gelator [Au(6-thioguanosine)₂]Cl which exhibits a co-operative anion-induced transition from vesicles to a fibrous metallo-hydrogel.
• Authors of publication: McGarry, Liam F.; El-Zubir, Osama; Waddell, Paul G.; Cucinotta, Fabio; Houlton, Andrew; Horrocks, Benjamin R.
• Journal of publication: Soft matter
• Year of publication: 2023
• Journal volume: 19
• Journal issue: 43
• Pages of publication: 8386 - 8402
• a: 7.3414 ± 0.0003 Å
• b: 13.5389 ± 0.0005 Å
• c: 14.84 ± 0.0006 Å
• α: 90°
• β: 101.962 ± 0.004°
• γ: 90°
• Cell volume: 1442.98 ± 0.1 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No