Information card for entry 7248125

Structure parameters

• Formula: C19 H19 F6 N4 O4 P
• Calculated formula: C19 H19 F6 N4 O4 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O=C(NNC(=O)C[n+]1ccc(c2ccncc2)cc1)c1c(O)cccc1.O
• Title of publication: Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions
• Authors of publication: Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 11
• Pages of publication: 1527 - 1533
• a: 5.7747 ± 0.0004 Å
• b: 12.6277 ± 0.001 Å
• c: 28.442 ± 0.002 Å
• α: 90°
• β: 95.394 ± 0.002°
• γ: 90°
• Cell volume: 2064.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No