Information card for entry 1515930

Structure parameters

• Formula: C96 H136 Br4 Cu4 N24 O23
• Calculated formula: C96 H124 Br4 Cu4 N24 O23
• Title of publication: Shear induced gelation in a copper(ii) metallogel: new aspects of ion-tunable rheology and gel-reformation by external chemical stimuli
• Authors of publication: Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W.
• Journal of publication: Soft Matter
• Year of publication: 2010
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 3541
• a: 18.241 ± 0.003 Å
• b: 18.241 ± 0.003 Å
• c: 35.422 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11786 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2266
• Weighted residual factors for all reflections included in the refinement: 0.2489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No