Information card for entry 7245408

Structure parameters

• Formula: C42 H34 K N10 O6
• Calculated formula: C42 H34 K N10 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: 8.074 ± 0.0002 Å
• b: 31.7168 ± 0.0005 Å
• c: 16.219 ± 0.0003 Å
• α: 90°
• β: 100.863 ± 0.002°
• γ: 90°
• Cell volume: 4078.96 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• 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