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Information card for entry 7229069
Preview
| Coordinates | 7229069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H35 N8 Ni O12 |
|---|---|
| Calculated formula | C34 H28 N7 Ni O11 |
| Title of publication | Nickel(ii) metal‒organic frameworks with N,N′-di(4-pyridyl)-naphthalenediimide ligands: influence of secondary building unit geometry on dimensionality and framework dimensions |
| Authors of publication | Pfeiffer, Constance R.; Biggins, Naomi; Lewis, William; Champness, Neil R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 9.8571 ± 0.0006 Å |
| b | 11.2573 ± 0.0007 Å |
| c | 16.1205 ± 0.0008 Å |
| α | 89.642 ± 0.004° |
| β | 83.978 ± 0.005° |
| γ | 82.956 ± 0.005° |
| Cell volume | 1765.46 ± 0.18 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.0654 |
| Residual factor for significantly intense reflections | 0.0593 |
| Weighted residual factors for significantly intense reflections | 0.1638 |
| Weighted residual factors for all reflections included in the refinement | 0.1703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200193 (current) | 2017-09-06 | cif/ Adding structures of 7229067, 7229068, 7229069 via cif-deposit CGI script. |
7229069.cif |
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Users of the data should acknowledge the original authors of the
structural data.