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Information card for entry 1550777
Preview
| Coordinates | 1550777.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | p-py |
|---|---|
| Formula | C34 H20.25 N6 O0.12 S4 |
| Calculated formula | C34 H20.25 N6 O0.125 S4 |
| Title of publication | Conformer-dependent self-assembly metallacycles with photo-reversible response |
| Authors of publication | Li, Mengqi; Chen, Li-Jun; Zhang, Zhipeng; Luo, Qianfu; Yang, Hai-Bo; Tian, He; Zhu, Weihong |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 32.3746 ± 0.0006 Å |
| b | 8.0807 ± 0.0002 Å |
| c | 22.6746 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5931.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0716 |
| Residual factor for significantly intense reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.1425 |
| Weighted residual factors for all reflections included in the refinement | 0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214322 (current) | 2019-03-26 | cif/ Adding structures of 1550777 via cif-deposit CGI script. |
1550777.cif |
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