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Information card for entry 4347988
Preview
| Coordinates | 4347988.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | SQ1 |
|---|---|
| Formula | C28 H29.5 N4 O8 |
| Calculated formula | C28 H29.5 N4 O8 |
| Title of publication | Toward "metalloMOFzymes": Metal-Organic Frameworks with Single-Site Metal Catalysts for Small-Molecule Transformations. |
| Authors of publication | Cohen, Seth M.; Zhang, Zhenjie; Boissonnault, Jake A. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 15 |
| Pages of publication | 7281 - 7290 |
| a | 6.989 ± 0.0001 Å |
| b | 11.5447 ± 0.0002 Å |
| c | 17.1361 ± 0.0003 Å |
| α | 87.1034 ± 0.0013° |
| β | 87.0287 ± 0.0014° |
| γ | 73.1174 ± 0.0013° |
| Cell volume | 1320.36 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.075 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1369 |
| Weighted residual factors for all reflections included in the refinement | 0.1545 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232618 (current) | 2019-11-23 | cif/ Adding structures of 4347988 via cif-deposit CGI script. |
4347988.cif |
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Users of the data should acknowledge the original authors of the
structural data.