Information card for entry 7231030

Structure parameters

• Common name: [hexakis(isonicotinoyl)cyclotricatechylene] tris(trifluoroacetate)(isoniconinate)dicopper(II)
• Formula: C69 H40 Cu2 F9 N7 O20
• Calculated formula: C69 H40 Cu2 F9 N7 O20
• Title of publication: 2D networks of metallo-capsules and other coordination polymers from a hexapodal ligand
• Authors of publication: Thorp-Greenwood, Flora L.; Berry, Gilberte Therese; Boyadjieva, Sophia S.; Oldknow, Samuel; Hardie, Michaele J.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 28
• Pages of publication: 3960
• a: 18.1806 ± 0.0011 Å
• b: 18.4809 ± 0.0011 Å
• c: 19.4599 ± 0.0013 Å
• α: 103.319 ± 0.006°
• β: 109.243 ± 0.006°
• γ: 103.091 ± 0.005°
• Cell volume: 5672.3 ± 0.7 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1792
• Residual factor for significantly intense reflections: 0.1249
• Weighted residual factors for significantly intense reflections: 0.3474
• Weighted residual factors for all reflections included in the refinement: 0.3868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No