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Information card for entry 7231839
Preview
| Coordinates | 7231839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H18 Cl2 N4 O4 |
|---|---|
| Calculated formula | C26 H18 Cl2 N4 O4 |
| Title of publication | Crystallographic studies of 2-picolyl substituted naphthalene diimide and bis-phthalimide ligands and their supramolecular coordination chemistry |
| Authors of publication | Lovitt, June I.; Hawes, Chris S.; Gunnlaugsson, Thorfinnur |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 2 |
| Pages of publication | 207 |
| a | 4.9197 ± 0.0009 Å |
| b | 9.297 ± 0.002 Å |
| c | 12.906 ± 0.003 Å |
| α | 109.588 ± 0.015° |
| β | 98.253 ± 0.015° |
| γ | 91.039 ± 0.016° |
| Cell volume | 549 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 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 | 0.1767 |
| Residual factor for significantly intense reflections | 0.0819 |
| Weighted residual factors for significantly intense reflections | 0.1742 |
| Weighted residual factors for all reflections included in the refinement | 0.2223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223590 (current) | 2019-11-07 | cif/ Updating files of 7231836, 7231837, 7231838, 7231839, 7231840, 7231841 Original log message: Adding full bibliography for 7231836--7231841.cif. |
7231839.cif |
| 212080 | 2018-11-21 | cif/ Adding structures of 7231836, 7231837, 7231838, 7231839, 7231840, 7231841 via cif-deposit CGI script. |
7231839.cif |
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Users of the data should acknowledge the original authors of the
structural data.