Information card for entry 7129483

Structure parameters

• Formula: C41 H52 K N O6
• Calculated formula: C41 H52 K N O6
• Title of publication: The <i>cis</i>/<i>trans</i> conformation approach for tuning the magnetic coupling in a diradical: isolation of pure pyridine-based diradical dianions.
• Authors of publication: Sun, Qiang; Liu, Min; Ruan, Huapeng; Chen, Chao; Zhao, Yue; Tan, Gengwen; Wang, Xinping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 11
• Pages of publication: 1708 - 1711
• a: 19.7899 ± 0.0016 Å
• b: 20.4638 ± 0.0019 Å
• c: 22.71 ± 0.002 Å
• α: 90°
• β: 98.184 ± 0.006°
• γ: 90°
• Cell volume: 9103.4 ± 1.4 ų
• Cell temperature: 192.98 K
• Ambient diffraction temperature: 192.98 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: 0.2045
• Residual factor for significantly intense reflections: 0.1166
• Weighted residual factors for significantly intense reflections: 0.2828
• Weighted residual factors for all reflections included in the refinement: 0.3363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No