Information card for entry 7248126

Structure parameters

• Formula: C22 H24 F6 N5 O4 P
• Calculated formula: C22 H24 F6 N5 O4 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].O=C(NNC(=O)c1c(O)cccc1)C[n+]1ccc(c2ccncc2)cc1.O=CN(C)C
• 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: 22.036 ± 0.011 Å
• b: 10.119 ± 0.005 Å
• c: 22.787 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5081 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1386
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No