Information card for entry 1575068

Structure parameters

• Chemical name: tris(2-(1-methyl-1H-pyrazol-3-yl)pyridine)cobalt-di(tetrafluoroborate)
• Formula: C27 H27 B2 Co F8 N9
• Calculated formula: C27 H27 B2 Co F8 N9
• Title of publication: An investigation into catalysed xanthene-based dye oxidation by a family of coordination cages.
• Authors of publication: Williams, James R.; Ward, Michael D.
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 17285 - 17293
• a: 12.6814 ± 0.0004 Å
• b: 12.1894 ± 0.0004 Å
• c: 20.2334 ± 0.0008 Å
• α: 90°
• β: 104.141 ± 0.004°
• γ: 90°
• Cell volume: 3032.88 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2266
• Weighted residual factors for all reflections included in the refinement: 0.2477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No