Information card for entry 1543422

Structure parameters

• Chemical name: (1,4,7,10,13,16-Hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium dicarbonyl(η^5^-pentamethylcyclopentadienyl)ferrate(II)
• Formula: C24 H39 Fe K O8
• Calculated formula: C24 H39 Fe K O8
• SMILES: [Fe]1234(C#[O][K]56789[O]%10CC[O]5CC[O]6CC[O]7CC[O]8CC[O]9CC%10)(C#[O])[c]5([c]4([c]3([c]2([c]15C)C)C)C)C
• Title of publication: [K(18-crown-6)][FeCp*(CO)~2~]
• Authors of publication: Mizuhata, Yoshiyuki; Yanagisawa, Tatsuya; Sasamori, Takahiro; Tokitoh, Norihiro
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160881
• a: 8.4761 ± 0.0002 Å
• b: 15.2842 ± 0.0002 Å
• c: 20.5734 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2665.29 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes