Information card for entry 2243953

Structure parameters

• Chemical name: (7-Methylindolin-1-ido-κ<i>N</i>)(1,4,7,10,13,16-hexaoxacyclooctadecane-κ^6^<i>O</i>)potassium
• Formula: C21 H32 K N O6
• Calculated formula: C21 H32 K N O6
• Title of publication: Crystal structures of two novel iron isocyanides from the reaction of 2,6-dimethylphenyl isocyanide, CNXyl, with bis(anthracene)ferrate({-}1)
• Authors of publication: Brennessel, William W.; Ellis, John E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 1
• a: 10.784 ± 0.003 Å
• b: 9.754 ± 0.003 Å
• c: 21.783 ± 0.007 Å
• α: 90°
• β: 91.864 ± 0.004°
• γ: 90°
• Cell volume: 2290.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes