Information card for entry 4518157

Structure parameters

• Formula: C51 H54 F6 Fe N O8 P
• Calculated formula: C48 H52.24 F6 Fe N3 O8 P
• Title of publication: Photoinduced Mechanical Motions of Pseudorotaxane Crystals Composed of Azobenzene and Ferrocenyl Groups on an Axle and a Crown Ether Ring
• Authors of publication: Cheng, Shao-Chi; Wang, Chi-Hsien; Lin, Yi-Chia; Tsuchido, Yoshitaka; Suzaki, Yuji; Sei, Yoshihisa; Kuo, Ting-Shen; Horie, Masaki
• Journal of publication: ACS Applied Materials & Interfaces
• Year of publication: 2020
• a: 10.1921 ± 0.0015 Å
• b: 11.4742 ± 0.0014 Å
• c: 21.692 ± 0.003 Å
• α: 86.353 ± 0.011°
• β: 85.801 ± 0.011°
• γ: 86.926 ± 0.009°
• Cell volume: 2521.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 199.94 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2873
• Residual factor for significantly intense reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.2682
• Weighted residual factors for all reflections included in the refinement: 0.3537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No