Information card for entry 7231022

Structure parameters

• Chemical name: [hexakis(isonicotinoyl)cyclotricatechylene]disilver(I) tetrafluoroborate dimethylformamide hydrate
• Formula: C81 H96 Ag2 B2 F8 N14 O22
• Calculated formula: C81 H92 Ag2 B2 F8 N14 O22
• 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: 11.8036 ± 0.0001 Å
• b: 33.2827 ± 0.0004 Å
• c: 12.5383 ± 0.0001 Å
• α: 90°
• β: 109.616 ± 0.001°
• γ: 90°
• Cell volume: 4639.87 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.2009
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No