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Information card for entry 7053808
Preview
| Coordinates | 7053808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H82 Cl16 Cr2 N4 P4 |
|---|---|
| Calculated formula | C68 H82 Cl16 Cr2 N4 P4 |
| SMILES | C12P(c3ccccc3)(c3ccccc3)=[N](C(C)C)[Cr]32([N](=P1(c1ccccc1)c1ccccc1)C(C)C)(Cl)[Cl][Cr]12(C(P(c4ccccc4)(c4ccccc4)=[N]1C(C)C)P(=[N]2C(C)C)(c1ccccc1)c1ccccc1)(Cl)[Cl]3.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Chromium (iii)-bis(iminophosphoranyl)methanido complexes: synthesis, X-ray crystal structures and catalytic ethylene oligomerization |
| Authors of publication | Klemps, Christian; Buchard, Antoine; Houdard, Romaric; Auffrant, Audrey; Mézailles, Nicolas; Le Goff, Xavier Frédéric; Ricard, Louis; Saussine, Lucien; Magna, Lionel; Le Floch, Pascal |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2009 |
| Journal volume | 33 |
| Journal issue | 8 |
| Pages of publication | 1748 |
| a | 12.779 ± 0.001 Å |
| b | 12.956 ± 0.001 Å |
| c | 13.7 ± 0.001 Å |
| α | 77.252 ± 0.001° |
| β | 69.776 ± 0.001° |
| γ | 69.642 ± 0.001° |
| Cell volume | 1982.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180092 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/38. |
7053808.cif |
| 96641 | 2014-01-29 | cif/ Adding structures of 7053808, 7053809, 7053810 via cif-deposit CGI script. |
7053808.cif |
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