Information card for entry 7011207

Structure parameters

• Formula: C28 H40 K4 O4
• Calculated formula: C28 H40 K4 O4
• Title of publication: Ether and crown ether adduct complexes of sodium and potassium cyclopentadienide and methylcyclopentadienide—molecular structures of [Na(dme)Cp]∞ , [K(dme)0.5Cp]∞ , [Na(15-crown-5)Cp], [Na(18-crown-6)CpMe] and the “naked Cp−” complex [K(15-crown-5)2][Cp]
• Authors of publication: Marcus L. Cole; Cameron Jones; Peter C. Junk
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 896 - 905
• a: 8.972 ± 0.003 Å
• b: 11.28 ± 0.004 Å
• c: 17.045 ± 0.006 Å
• α: 83.372 ± 0.005°
• β: 83.498 ± 0.004°
• γ: 82.935 ± 0.007°
• Cell volume: 1691.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1798
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2543
• Weighted residual factors for all reflections included in the refinement: 0.3152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No