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Information card for entry 4134301
Preview
| Coordinates | 4134301.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H50 Cl4 Cu2 N8 |
|---|---|
| Calculated formula | C42 H50 Cl4 Cu2 N8 |
| Title of publication | Record-setting selectivity for p-xylene by an intrinsically porous 0D metallocycle. |
| Authors of publication | du Plessis, Marike; Nikolayenko, Varvara I.; Barbour, Leonard J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 8.4436 ± 0.0016 Å |
| b | 11.21 ± 0.002 Å |
| c | 22.265 ± 0.004 Å |
| α | 90° |
| β | 99.687 ± 0.003° |
| γ | 90° |
| Cell volume | 2077.4 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1082 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1452 |
| Weighted residual factors for all reflections included in the refinement | 0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248616 (current) | 2020-03-03 | cif/ Adding structures of 4134301 via cif-deposit CGI script. |
4134301.cif |
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Users of the data should acknowledge the original authors of the
structural data.