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Information card for entry 7029696
Preview
| Coordinates | 7029696.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H60 N2 O8 V2 |
|---|---|
| Calculated formula | C54 H60 N2 O8 V2 |
| SMILES | c12c(cc(cc1C=[N]([V]13(O2)(O[V]23([N](=Cc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O2)c2ccccc2Oc2ccccc2)(O1)=O)=O)c1c(Oc2ccccc2)cccc1)C(C)(C)C)C(C)(C)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 | 11.9699 ± 0.0005 Å |
| b | 15.6408 ± 0.0006 Å |
| c | 13.9536 ± 0.0005 Å |
| α | 90° |
| β | 99.3405 ± 0.0006° |
| γ | 90° |
| Cell volume | 2577.74 ± 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 | 0.0506 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| 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 |
|---|---|---|---|
| 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. |
7029696.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. |
7029696.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. |
7029696.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. |
7029696.cif |
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Users of the data should acknowledge the original authors of the
structural data.