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Information card for entry 7039687
Preview
| Coordinates | 7039687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H32 Cl4 N2 O4 V |
|---|---|
| Calculated formula | C24 H32 Cl4 N2 O4 V |
| SMILES | [V]123(Oc4c(C[N]3(CC[N]2(C)C)Cc2c(O1)c(Cl)cc(Cl)c2)cc(Cl)cc4Cl)(OC(C)C)OC(C)C |
| Title of publication | Isoprene polymerization mediated by vanadium-[ONNO] complexes. |
| Authors of publication | Phuphuak, Yupin; Bonnet, Fanny; Vendier, Laure; Lorber, Christian; Zinck, Philippe |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 30 |
| Pages of publication | 12069 - 12077 |
| a | 9.3618 ± 0.0003 Å |
| b | 12.2726 ± 0.0004 Å |
| c | 12.4098 ± 0.0004 Å |
| α | 88.813 ± 0.001° |
| β | 72.816 ± 0.001° |
| γ | 78.888 ± 0.001° |
| Cell volume | 1335.62 ± 0.08 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 | 0.0271 |
| Residual factor for significantly intense reflections | 0.0239 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0796 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.187 |
| 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. |
7039687.cif |
| 185317 | 2016-08-07 | cif/ Updating files of 7039687, 7039688 Original log message: Adding full bibliography for 7039687--7039688.cif. |
7039687.cif |
| 183999 | 2016-06-28 | cif/ Adding structures of 7039687, 7039688 via cif-deposit CGI script. |
7039687.cif |
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Users of the data should acknowledge the original authors of the
structural data.