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Information card for entry 1557899
Preview
| Coordinates | 1557899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 |
|---|---|
| Calculated formula | C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 |
| SMILES | c1ccc2cccc3c2[n]1[Ni]12([n]4c5c(ccc4)cccc5[P]31Oc1cc(cc(c1)C(C)(C)C)C(C)(C)C)([Cl][Ni]13([F][Sb](F)(F)(F)(F)F)([n]4cccc5cccc(c45)[P]3(Oc3cc(cc(c3)C(C)(C)C)C(C)(C)C)c3cccc4ccc[n]1c34)[Cl]2)[F][Sb](F)(F)(F)(F)F.c1(ccccc1)F.Fc1ccccc1 |
| Title of publication | Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates |
| Authors of publication | Yang, Jian; Postils, Verònica; Lipschutz, Michael I.; Fasulo, Meg; Raynaud, Christophe; Clot, Eric; Eisenstein, Odile; Tilley, T. Don |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 19 |
| Pages of publication | 5043 - 5051 |
| a | 10.5566 ± 0.0006 Å |
| b | 14.6779 ± 0.0013 Å |
| c | 14.7391 ± 0.0008 Å |
| α | 109.074 ± 0.004° |
| β | 108.271 ± 0.003° |
| γ | 97.907 ± 0.004° |
| Cell volume | 1974.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.111 |
| Residual factor for significantly intense reflections | 0.0638 |
| Weighted residual factors for significantly intense reflections | 0.1723 |
| Weighted residual factors for all reflections included in the refinement | 0.2002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257330 (current) | 2020-10-06 | cif/ Updating files of 1557899 Original log message: Adding full bibliography for 1557899.cif. |
1557899.cif |
| 252732 | 2020-06-05 | cif/ Updating files of 1557899 Original log message: Adding full bibliography for 1557899.cif. |
1557899.cif |
| 251161 | 2020-04-25 | cif/ Adding structures of 1557899 via cif-deposit CGI script. |
1557899.cif |
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