Information card for entry 7037669

Structure parameters

• Common name: Co Cubane (OH, 4F)
• Formula: C125 H104 Cl2 Co8 F20 N8 O29 S4
• Calculated formula: C125 H104 Cl2 Co8 F20 N8 O29 S4
• Title of publication: A discrete {Co4(μ3-OH)4}(4+) cluster with an oxygen-rich coordination environment as a catalyst for the epoxidation of various olefins.
• Authors of publication: Lee, Sun Young; Kim, Namseok; Lee, Myoung Mi; Jo, Young Dan; Bae, Jeong Mi; Hyun, Min Young; Yoon, Sungho; Kim, Cheal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1727 - 1736
• a: 12.8536 ± 0.0006 Å
• b: 14.3535 ± 0.0008 Å
• c: 20.0526 ± 0.0011 Å
• α: 95.45 ± 0.002°
• β: 105.838 ± 0.002°
• γ: 93.734 ± 0.002°
• Cell volume: 3527 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No