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Information card for entry 7039089
Preview
| Coordinates | 7039089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H29 N3 O2 P2 |
|---|---|
| Calculated formula | C27 H29 N3 O2 P2 |
| SMILES | c1(c(cccc1)OC)NP(c1ccccc1)N(C)P(c1ccccc1)Nc1c(cccc1)OC |
| Title of publication | Ligands with an NPNPN-framework and their application in chromium catalysed ethene tri-/tetramerization. |
| Authors of publication | Peulecke, N.; Müller, B H; Spannenberg, A.; Höhne, M; Rosenthal, U.; Wöhl, A; Müller, W; Alqahtani, A.; Al Hazmi, M. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 21 |
| Pages of publication | 8869 - 8874 |
| a | 14.6955 ± 0.0006 Å |
| b | 11.8223 ± 0.0005 Å |
| c | 14.3639 ± 0.0005 Å |
| α | 90° |
| β | 94.7107 ± 0.0007° |
| γ | 90° |
| Cell volume | 2487.08 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0596 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0844 |
| Weighted residual factors for all reflections included in the refinement | 0.0971 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039089.cif |
| 185437 | 2016-08-07 | cif/ Updating files of 7039084, 7039085, 7039086, 7039087, 7039088, 7039089, 7039090 Original log message: Adding full bibliography for 7039084--7039090.cif. |
7039089.cif |
| 182337 | 2016-04-28 | cif/ Adding structures of 7039084, 7039085, 7039086, 7039087, 7039088, 7039089, 7039090 via cif-deposit CGI script. |
7039089.cif |
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Users of the data should acknowledge the original authors of the
structural data.