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Information card for entry 4128316
Preview
| Coordinates | 4128316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H33 N2 O5 Zn |
|---|---|
| Calculated formula | C30.191 H27.307 N1.937 O5 Zn |
| Title of publication | Dynamic Topochemical Reaction Tuned by Guest Molecules in the Nanospace of a Metal-Organic Framework. |
| Authors of publication | Kusaka, Shinpei; Kiyose, Atsushi; Sato, Hiroshi; Hijikata, Yuh; Hori, Akihiro; Ma, Yunsheng; Matsuda, Ryotaro |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 40 |
| Pages of publication | 15742 - 15746 |
| a | 8.5379 ± 0.0003 Å |
| b | 11.6565 ± 0.0003 Å |
| c | 14.3665 ± 0.0005 Å |
| α | 76.954 ± 0.002° |
| β | 78.816 ± 0.003° |
| γ | 83.43 ± 0.002° |
| Cell volume | 1362.69 ± 0.08 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1621 |
| Weighted residual factors for all reflections included in the refinement | 0.1688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 221439 (current) | 2019-11-03 | cif/ Adding structures of 4128316 via cif-deposit CGI script. |
4128316.cif |
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