Information card for entry 4131574

Structure parameters

• Formula: C116.5 H88.26 Co4 N28.25 O8
• Calculated formula: C116.584 H88.408 Co4 N28.292 O8
• Title of publication: Putting a New Spin on Supramolecular Metallacycles: Co₃ Triangle and Co₄ Square Bearing Tetrazine-Based Radicals as Bridges.
• Authors of publication: Alexandropoulos, Dimitris I.; Dolinar, Brian S.; Vignesh, Kuduva R.; Dunbar, Kim R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 32
• Pages of publication: 11040 - 11043
• a: 19.0961 ± 0.0016 Å
• b: 33.161 ± 0.003 Å
• c: 34.712 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21981 ± 3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No