Information card for entry 7231024

Structure parameters

• Chemical name: hexakis(isonicotinoyl)cyclotricatechylene dimethyl formamide clathrate
• Formula: C60 H43 N7 O13
• Calculated formula: C60 H43 N7 O13
• 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: 13.6325 ± 0.0004 Å
• b: 14.2524 ± 0.0002 Å
• c: 14.6263 ± 0.0006 Å
• α: 81.277 ± 0.003°
• β: 67.96 ± 0.003°
• γ: 79.096 ± 0.002°
• Cell volume: 2576.42 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No