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Information card for entry 7243999
Preview
| Coordinates | 7243999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H30.54 F3 N5 Ni O8.27 S |
|---|---|
| Calculated formula | C31 H28 F3 N5 Ni O8.272 S |
| Title of publication | Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines |
| Authors of publication | Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 1 |
| Pages of publication | 57 - 69 |
| a | 11.0416 ± 0.0003 Å |
| b | 11.7979 ± 0.0004 Å |
| c | 14.2305 ± 0.0003 Å |
| α | 104.917 ± 0.002° |
| β | 98.643 ± 0.002° |
| γ | 113.012 ± 0.003° |
| Cell volume | 1581.79 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0706 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1103 |
| Weighted residual factors for all reflections included in the refinement | 0.1221 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272602 (current) | 2022-02-04 | cif/ Updating files of 7243997, 7243998, 7243999 Original log message: Adding full bibliography for 7243997--7243999.cif. |
7243999.cif |
| 271068 | 2021-12-04 | cif/ Adding structures of 7243997, 7243998, 7243999 via cif-deposit CGI script. |
7243999.cif |
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Users of the data should acknowledge the original authors of the
structural data.