Information card for entry 4518153

Structure parameters

• Formula: C86 H94 F12 Fe N6 O16 P2
• Calculated formula: C86 H94 F12 Fe N6 O16 P2
• 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: 10.569 ± 0.005 Å
• b: 11.536 ± 0.006 Å
• c: 18.59 ± 0.009 Å
• α: 86.397 ± 0.012°
• β: 74.393 ± 0.011°
• γ: 87.892 ± 0.012°
• Cell volume: 2178.2 ± 1.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1669
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.2599
• Weighted residual factors for all reflections included in the refinement: 0.2901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No