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Information card for entry 7029698
Preview
| Coordinates | 7029698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C63 H64 N2 O8 V2 |
|---|---|
| Calculated formula | C63 H64 N2 O8 V2 |
| SMILES | [V]12([O]([V]3([OH]1)([N](=Cc1c(O3)c(C(c3ccccc3)(C)C)cc(C)c1)c1c(c3ccccc3OC)cccc1)=O)CCC)(=O)Oc1c(cc(cc1C=[N]2c1ccccc1c1c(OC)cccc1)C)C(C)(c1ccccc1)C |
| Title of publication | Vanadyl complexes bearing bi-dentate phenoxyimine ligands: synthesis, structural studies and ethylene polymerization capability. |
| Authors of publication | Ma, Jing; Zhao, Ke-Qing; Walton, Mark J.; Wright, Joseph A.; Frese, Josef W. A.; Elsegood, Mark R. J.; Xing, Qifeng; Sun, Wen-Hua; Redshaw, Carl |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 22 |
| Pages of publication | 8300 - 8310 |
| a | 9.83 ± 0.002 Å |
| b | 13.423 ± 0.003 Å |
| c | 21.429 ± 0.004 Å |
| α | 92.36 ± 0.03° |
| β | 100.78 ± 0.03° |
| γ | 98.46 ± 0.03° |
| Cell volume | 2740.5 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0894 |
| Weighted residual factors for significantly intense reflections | 0.2367 |
| Weighted residual factors for all reflections included in the refinement | 0.284 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.228 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7029698.cif |
| 180002 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/96. |
7029698.cif |
| 116203 | 2014-06-07 | cif/ Updating files of 7029687, 7029688, 7029689, 7029690, 7029691, 7029692, 7029693, 7029694, 7029695, 7029696, 7029697, 7029698, 7029699 Original log message: Adding full bibliography for 7029687--7029699.cif. |
7029698.cif |
| 109496 | 2014-04-15 | cif/ Adding structures of 7029687, 7029688, 7029689, 7029690, 7029691, 7029692, 7029693, 7029694, 7029695, 7029696, 7029697, 7029698, 7029699 via cif-deposit CGI script. |
7029698.cif |
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Users of the data should acknowledge the original authors of the
structural data.