Information card for entry 7243512

Structure parameters

• Formula: C28 H36 N4 Na O8
• Calculated formula: C28 H36 N4 Na 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: 17.191 ± 0.002 Å
• b: 20.518 ± 0.002 Å
• c: 8.3079 ± 0.0009 Å
• α: 90°
• β: 90.131 ± 0.006°
• γ: 90°
• Cell volume: 2930.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1905
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1982
• Weighted residual factors for all reflections included in the refinement: 0.2922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No