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Information card for entry 7229067
Preview
| Coordinates | 7229067.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H57 N11 Ni O15 |
|---|---|
| Calculated formula | C30 H15 N5 Ni O9 |
| 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 | 11.1115 ± 0.0007 Å |
| b | 12.5077 ± 0.0008 Å |
| c | 16.1965 ± 0.0004 Å |
| α | 85.612 ± 0.003° |
| β | 89.685 ± 0.003° |
| γ | 64.385 ± 0.006° |
| Cell volume | 2022.8 ± 0.2 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 | 0.0746 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1376 |
| Weighted residual factors for all reflections included in the refinement | 0.1498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
7229067.cif |
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Users of the data should acknowledge the original authors of the
structural data.