Information card for entry 7243510

Structure parameters

• Formula: C40 H40 K N8 O8
• Calculated formula: C40 H40 K N8 O8
• Title of publication: Novel TCNQ-stacking motifs in (12-crown-4)-complexes of alkali metal TCNQ salts
• Authors of publication: Yan, Bingjia; Horton, Peter N.; Weston, Simon C.; Russell, Andrea E.; Grossel, Martin C.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 38
• Pages of publication: 6755 - 6760
• a: 8.0221 ± 0.0002 Å
• b: 13.6455 ± 0.0003 Å
• c: 18.3816 ± 0.0005 Å
• α: 80.507 ± 0.002°
• β: 85.505 ± 0.002°
• γ: 85.457 ± 0.002°
• Cell volume: 1973.99 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• 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