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Information card for entry 4518157
Preview
| Coordinates | 4518157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258544 (current) | 2020-10-23 | cif/ Adding structures of 4518157 via cif-deposit CGI script. |
4518157.cif |
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