Information card for entry 1529092

Structure parameters

• Chemical name: tris(isonicotinoyl)cyclotriguaiacyclene copper(i) tetrafluoroborate
• Formula: C47 H44.5 B Cu F4 N5.5 O11
• Calculated formula: C47 H40.5 B Cu F4 N5.5 O11
• 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: 9.459 ± 0.002 Å
• b: 29.785 ± 0.007 Å
• c: 34.465 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9710 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.1163
• Weighted residual factors for significantly intense reflections: 0.3412
• Weighted residual factors for all reflections included in the refinement: 0.3652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No