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Information card for entry 7224577
Preview
| Coordinates | 7224577.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H14 N8 Ni O2 |
|---|---|
| Calculated formula | C6 H14 N8 Ni O2 |
| SMILES | C1(=[NH][Ni]2(NC(=N1)N)NC(=NC(=[NH]2)N)OC)OC |
| Title of publication | Nickel(II)-2-amino-4-alkoxy-1,3,5-triazapentadienate complexes as catalysts for Heck and Henry reactions |
| Authors of publication | Ribeiro, Ana; Karabach, Yauhen Yu.; Martins, Luísa Margarida; Mahmoud, Abdallah G.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 7.853 ± 0.0012 Å |
| b | 8.1074 ± 0.0013 Å |
| c | 9.729 ± 0.0015 Å |
| α | 90° |
| β | 105.589 ± 0.006° |
| γ | 90° |
| Cell volume | 596.63 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0632 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178138 (current) | 2016-03-11 | cif/ Adding structures of 7224577, 7224578 via cif-deposit CGI script. |
7224577.cif |
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