Information card for entry 2235513

Structure parameters

• Common name: 5297
• Chemical name: ([2.2.2]Cryptand-κ^6^<i>O</i>)potassium (η^4^-cyclooctadiene)bis(η^2^-pyrene)cobaltate(1-) pentane hemisolvate
• Formula: C60.5 H72 Co K N2 O6
• Calculated formula: C60.5 H74 Co K N2 O6
• Title of publication: ([2.2.2]Cryptand-κ^6^<i>O</i>)potassium (η^4^-cyclooctadiene)bis(η^2^-pyrene)cobaltate(1{-}) pentane hemisolvate
• Authors of publication: Brennessel, William W.; Ellis, John E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m1013 - m1014
• a: 12.1007 ± 0.0009 Å
• b: 12.9869 ± 0.001 Å
• c: 18.7501 ± 0.0014 Å
• α: 72.064 ± 0.001°
• β: 81.595 ± 0.001°
• γ: 68.558 ± 0.001°
• Cell volume: 2607.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes