Information card for entry 7045535

Structure parameters

• Formula: C50 H90 F12 N4 O20 P2
• Calculated formula: C50 H90 F12 N4 O20 P2
• SMILES: C(=O)(c1ccc(cc1)[NH3+])N.C(=O)(c1ccc(cc1)[NH3+])N.C1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.C1COCCOCCOCCOCCOCCO1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Reversible phase transition and switchable dielectric behaviors triggered by rotation and order-disorder motions of crowns.
• Authors of publication: Liu, Yi; Zhou, Hai-Tao; Chen, Shao-Peng; Tan, Yu-Hui; Wang, Chang-Feng; Yang, Chang-Shan; Wen, He-Rui; Tang, Yun-Zhi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3851 - 3856
• a: 10.7115 ± 0.0009 Å
• b: 17.7665 ± 0.0015 Å
• c: 18.5118 ± 0.0016 Å
• α: 65.933 ± 0.002°
• β: 87.306 ± 0.002°
• γ: 86.158 ± 0.002°
• Cell volume: 3208.7 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2499
• Weighted residual factors for all reflections included in the refinement: 0.2883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No