Information card for entry 7231025

Structure parameters

• Chemical name: hexabromobis{hexakis(isonicotinoyl)cyclotricatechylene}tricobalt(II) dimethylformamide
• Formula: C120 H86 Br6 Co3 N14 O26
• Calculated formula: C120 H86 Br6 Co3 N14 O26
• 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: 35.931 ± 0.0011 Å
• b: 20.5186 ± 0.0005 Å
• c: 32.4986 ± 0.0015 Å
• α: 90°
• β: 111.33 ± 0.003°
• γ: 90°
• Cell volume: 22318.5 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2873
• Weighted residual factors for all reflections included in the refinement: 0.303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No