Information card for entry 7245410

Structure parameters

• Formula: C44 H32 K N8 O6
• Calculated formula: C44 H32 K N8 O6
• 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: 7.8459 ± 0.0003 Å
• b: 14.5336 ± 0.0004 Å
• c: 17.8334 ± 0.0004 Å
• α: 96.62 ± 0.001°
• β: 93.222 ± 0.002°
• γ: 101.779 ± 0.002°
• Cell volume: 1970.77 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1159
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• 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