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Information card for entry 1572147
Preview
| Coordinates | 1572147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H88 N8 Ni2 O2 P4 |
|---|---|
| Calculated formula | C66 H88 N8 Ni2 O2 P4 |
| Title of publication | Macrocyclic bis-diphosphenes demonstrating bimetallic <i>exo</i>- and <i>endo</i>-cyclic binding modes. |
| Authors of publication | Kreimer, Lisa N.; Hadlington, Terrance J. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 35 |
| Pages of publication | 14154 - 14160 |
| a | 9.89 ± 0.002 Å |
| b | 21.59 ± 0.004 Å |
| c | 15.52 ± 0.003 Å |
| α | 90° |
| β | 93.1 ± 0.03° |
| γ | 90° |
| Cell volume | 3309.1 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1306 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295190 (current) | 2024-10-06 | cif/ Updating files of 1572143, 1572144, 1572145, 1572146, 1572147, 1572148, 1572149, 1572150 Original log message: Adding full bibliography for 1572143--1572150.cif. |
1572147.cif |
| 293460 | 2024-07-19 | cif/ Adding structures of 1572143, 1572144, 1572145, 1572146, 1572147, 1572148, 1572149, 1572150 via cif-deposit CGI script. |
1572147.cif |
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Users of the data should acknowledge the original authors of the
structural data.