Information card for entry 1529089

Structure parameters

• Chemical name: tris(4-pyridyl-methyl)cyclotriguaiacyclene copper triflate
• Formula: C168 H156 Cu3 F0 N12 O27 S0
• Calculated formula: C168 H156 Cu3 N12 O27
• 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: 57.029 ± 0.002 Å
• b: 34.131 ± 0.003 Å
• c: 24.4704 ± 0.0006 Å
• α: 90°
• β: 95.496 ± 0.002°
• γ: 90°
• Cell volume: 47412 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.2352
• Weighted residual factors for all reflections included in the refinement: 0.2508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No