Information card for entry 4106402

Structure parameters

• Common name: [Co4(O2)2(bpbp)2(BDC)](PF6)4
• Formula: C80 H82 Co4 F24 N12 O10 P4
• Calculated formula: C80 H82 Co4 F24 N12 O10 P4
• Title of publication: Reversible and Selective O2 Chemisorption in a Porous Metal-Organic Host Material
• Authors of publication: Peter D. Southon; David J. Price; Pia K. Nielsen; Christine J. McKenzie; Cameron J. Kepert
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 10885 - 10891
• a: 10.225 ± 0.002 Å
• b: 12.729 ± 0.003 Å
• c: 36.869 ± 0.007 Å
• α: 90°
• β: 93.69 ± 0.03°
• γ: 90°
• Cell volume: 4788.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0968
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2587
• Weighted residual factors for all reflections included in the refinement: 0.2658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.652529 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No