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Information card for entry 4068999
Preview
| Coordinates | 4068999.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H30 Cl2 N2 O Si |
|---|---|
| Calculated formula | C39 H30 Cl2 N2 O Si |
| SMILES | C1(C(=O)C(=Cc2ccccc12)[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=CNc1cccc2cccnc12.C(Cl)Cl |
| Title of publication | Chromium(III) Complexes of Sterically Crowded Bidentante {ONR} and Tridentate {ONNR} Naphthoxy-Imine Ligands: Syntheses, Structures, and Use in Ethylene Oligomerization‡ |
| Authors of publication | Kirillov, Evgueni; Roisnel, Thierry; Razavi, Abbas; Carpentier, Jean-François |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 8 |
| Pages of publication | 2401 |
| a | 9.2733 ± 0.0016 Å |
| b | 9.9482 ± 0.0015 Å |
| c | 17.772 ± 0.003 Å |
| α | 103.255 ± 0.007° |
| β | 90.174 ± 0.008° |
| γ | 94.021 ± 0.007° |
| Cell volume | 1591.6 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0526 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0998 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4068999.cif |
| 178579 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/89. |
4068999.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068999.cif |
| 40084 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068999 via cif-deposit CGI script. |
4068999.cif |
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Users of the data should acknowledge the original authors of the
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