Information card for entry 1529088

Structure parameters

• Chemical name: tris(iso-nicotinoyl)cyclotriguaiacyclene copper cyanide
• Formula: C133 H99 Cu5.5 N17 O31
• Calculated formula: C132 H99 Cu5.5 N15 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: 29.5994 ± 0.0013 Å
• b: 29.5994 ± 0.0013 Å
• c: 52.255 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 39648 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2481
• Weighted residual factors for all reflections included in the refinement: 0.2828
• Goodness-of-fit parameter for all reflections included in the refinement: 0.774
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No