Information card for entry 1529090

Structure parameters

• Chemical name: bromotris(4-pyridyl-benzyl)cyclotriguaiacyclene copper(ii) bromide
• Formula: C128 H126 Br4 Cu2 N6 O17 S4
• Calculated formula: C128 H126 Br3.75 Cu2 N6 O17 S4
• Title of publication: Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies
• Authors of publication: Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5779
• a: 11.0753 ± 0.001 Å
• b: 32.119 ± 0.003 Å
• c: 47.079 ± 0.004 Å
• α: 90°
• β: 92.659 ± 0.001°
• γ: 90°
• Cell volume: 16729 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1933
• Residual factor for significantly intense reflections: 0.146
• Weighted residual factors for significantly intense reflections: 0.3872
• Weighted residual factors for all reflections included in the refinement: 0.4168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.412
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No