Information card for entry 1515931

Structure parameters

• Common name: CuBr2 1-1
• Formula: C48.8 H73.6 Br4 Cu2 N12 O12
• Calculated formula: C48.8 H71.2 Br4 Cu2 N12 O12
• 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: 8.215 ± 0.0004 Å
• b: 8.5279 ± 0.0004 Å
• c: 42.049 ± 0.002 Å
• α: 90°
• β: 92.813 ± 0.001°
• γ: 90°
• Cell volume: 2942.3 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.322
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No