Information card for entry 4109088

Structure parameters

• Formula: C72 H84 Co8 F6 K N12 O2 P
• Calculated formula: C72 H84 Co8 F6 K N12 O2 P
• Title of publication: Redox-Switched Complexation/Decomplexation of K+ and Cs+ by Molecular Cyanometalate Boxes
• Authors of publication: Julie L. Boyer; Maya Ramesh; Haijun Yao; Thomas B. Rauchfuss; Scott R. Wilson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1931 - 1936
• a: 12.853 ± 0.004 Å
• b: 12.853 ± 0.004 Å
• c: 23.193 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3831 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No