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Information card for entry 4070675
Preview
| Coordinates | 4070675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H23 N2 Ni0.5 O |
|---|---|
| Calculated formula | C18 H23 N2 Ni0.5 O |
| Title of publication | Remote Activation of Nickel Complexes by Coordination of B(C6F5)3to an Exocyclic Carbonitrile Functionality |
| Authors of publication | Boardman, Brycelyn M.; Valderrama, Juan M.; Muñoz, Flor; Wu, Guang; Bazan, Guillermo C.; Rojas, Rene |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1671 |
| a | 8.548 ± 0.003 Å |
| b | 9.595 ± 0.003 Å |
| c | 11.491 ± 0.004 Å |
| α | 65.568 ± 0.005° |
| β | 82.827 ± 0.005° |
| γ | 79.743 ± 0.005° |
| Cell volume | 843 ± 0.5 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 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 | 0.0408 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1008 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4070675.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4070675.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070675.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070675.cif |
| 42637 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070675 via cif-deposit CGI script. |
4070675.cif |
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Users of the data should acknowledge the original authors of the
structural data.