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Information card for entry 1568179
Preview
| Coordinates | 1568179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H48 F8 I N4 Ni |
|---|---|
| Calculated formula | C38 H48 F8 I N4 Ni |
| Title of publication | Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes. |
| Authors of publication | Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N. |
| Journal of publication | Faraday discussions |
| Year of publication | 2023 |
| Journal volume | 244 |
| Journal issue | 0 |
| Pages of publication | 62 - 76 |
| a | 10.5397 ± 0.0002 Å |
| b | 10.7172 ± 0.0002 Å |
| c | 19.4459 ± 0.0005 Å |
| α | 105.371 ± 0.002° |
| β | 98.187 ± 0.002° |
| γ | 103.797 ± 0.002° |
| Cell volume | 2006.65 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| 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 |
|---|---|---|---|
| 286131 (current) | 2023-09-05 | cif/ Updating files of 1568178, 1568179, 1568180 Original log message: Adding full bibliography for 1568178--1568180.cif. |
1568179.cif |
| 280011 | 2022-12-23 | cif/ Adding structures of 1568178, 1568179, 1568180 via cif-deposit CGI script. |
1568179.cif |
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Users of the data should acknowledge the original authors of the
structural data.