Information card for entry 2236694

Structure parameters

• Common name: I
• Chemical name: (18-Crown-6)potassium [(1,2,5,6-η)-cycloocta-1,5-diene][(1,2,3,4-η)-naphthalene]ferrate(-I)
• Formula: C30 H44 Fe K O6
• Calculated formula: C30 H44 Fe K O6
• SMILES: [Fe]123456([CH]7=[CH]1[CH]2=[CH]3c1ccccc71)[CH]1=[CH]4CC[CH]5=[CH]6CC1.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: (18-Crown-6)potassium [(1,2,5,6-η)-cycloocta-1,5-diene][(1,2,3,4-η)-naphthalene]ferrate({-}I)
• 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: 10
• Pages of publication: m1230 - m1231
• a: 9.244 ± 0.001 Å
• b: 10.5285 ± 0.0012 Å
• c: 15.971 ± 0.002 Å
• α: 76.085 ± 0.002°
• β: 89.651 ± 0.002°
• γ: 74.949 ± 0.002°
• Cell volume: 1454.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes