Information card for entry 7127563

Structure parameters

• Common name: Co_tBudhbpy_py2_PF6
• Formula: C96 H112 Co2 F12 N8 O4 P2
• Calculated formula: C96 H112 Co2 F12 N8 O4 P2
• Title of publication: Reduction of dioxygen to water by a Co(N₂O₂) complex with a 2,2'-bipyridine backbone.
• Authors of publication: Nichols, Asa W.; Kuehner, Joseph S.; Huffman, Brittany L.; Miedaner, Peter R.; Dickie, Diane A.; Machan, Charles W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 516 - 519
• a: 14.1019 ± 0.0016 Å
• b: 19.733 ± 0.002 Å
• c: 21.198 ± 0.002 Å
• α: 101.081 ± 0.003°
• β: 101.266 ± 0.003°
• γ: 100.857 ± 0.003°
• Cell volume: 5518.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1465
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No