Information card for entry 7245411

Structure parameters

• Formula: C96 H92 K2 N24 O12
• Calculated formula: C96 H92 K2 N24 O12
• Title of publication: Architectural diversity in the solid-state behaviour of crown ether and [2.2.2]-cryptand complexes of K+TCNQ•– salts
• Authors of publication: Yan, Bingjia; Horton, Peter; Weston, Simon C.; Wedge, Christopher J.; Russell, Andrea E.; Grossel, Martin C.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.0104 ± 0.0002 Å
• b: 36.7367 ± 0.0011 Å
• c: 15.8116 ± 0.0004 Å
• α: 90°
• β: 98.291 ± 0.003°
• γ: 90°
• Cell volume: 4604.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1401
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No