Information card for entry 7011209

Structure parameters

• Formula: C18 H31 Na O6
• Calculated formula: C18 H31 Na O6
• SMILES: [Na]1234567([O]8CC[O]1CC[O]2CCOCCOCC[O]6CC8)[c]1([cH]7[cH]5[cH]4[cH]31)C
• 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: 19.623 ± 0.003 Å
• b: 9.8461 ± 0.0017 Å
• c: 10.8445 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2095.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No