Information card for entry 1529093

Structure parameters

• Chemical name: tris(isonicotonoyl)cyclotriguaiacyclene copper(II) tetrafluoroborate
• Formula: C149 H187 B4 Cu2 F16 N19 O34.5
• Calculated formula: C149 H175 B4 Cu2 F16 N19 O34.5
• 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: 28.9123 ± 0.001 Å
• b: 20.7706 ± 0.0008 Å
• c: 29.7284 ± 0.0013 Å
• α: 90°
• β: 101.224 ± 0.004°
• γ: 90°
• Cell volume: 17511.2 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1803
• Residual factor for significantly intense reflections: 0.1262
• Weighted residual factors for significantly intense reflections: 0.336
• Weighted residual factors for all reflections included in the refinement: 0.3928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.303
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No