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Information card for entry 1560851
Preview
| Coordinates | 1560851.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C73 H69 Br Ge N Ni P3 Si |
|---|---|
| Calculated formula | C73 H69 Br Ge N Ni P3 Si |
| SMILES | [Ge]1([Ni]([P](C[Si](N1c1c(C(C)C)cccc1C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)Br |
| Title of publication | Reversible metathesis of ammonia in an acyclic germylene–Ni0 complex |
| Authors of publication | Keil, Philip M.; Szilvási, Tibor; Hadlington, Terrance J. |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| Journal volume | 12 |
| Journal issue | 15 |
| Pages of publication | 5582 - 5590 |
| a | 12.68 ± 0.003 Å |
| b | 15.53 ± 0.003 Å |
| c | 19.47 ± 0.004 Å |
| α | 98.6 ± 0.03° |
| β | 92 ± 0.03° |
| γ | 91.3 ± 0.03° |
| Cell volume | 3787.1 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0757 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1551 |
| Weighted residual factors for all reflections included in the refinement | 0.1658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1560851.cif |
| 265933 | 2021-06-05 | cif/ Updating files of 1560843, 1560844, 1560845, 1560846, 1560847, 1560848, 1560849, 1560850, 1560851, 1560852, 1560853, 1560854, 1560855, 1560856, 1560857 Original log message: Adding full bibliography for 1560843--1560857.cif. |
1560851.cif |
| 262780 | 2021-03-06 | cif/ Adding structures of 1560843, 1560844, 1560845, 1560846, 1560847, 1560848, 1560849, 1560850, 1560851, 1560852, 1560853, 1560854, 1560855, 1560856, 1560857 via cif-deposit CGI script. |
1560851.cif |
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Users of the data should acknowledge the original authors of the
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