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Information card for entry 7034090
Preview
| Coordinates | 7034090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H117 Cl4 N7 O6 Ta2 |
|---|---|
| Calculated formula | C78 H111 Cl4 N5 O6 Ta2 |
| SMILES | [Ta]1(Oc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)c1ccc(cc1)C1c2c(O[Ta](Oc3c(cc(cc13)C(C)(C)C)C(C)(C)C)(OCC)([N]#CC)(Cl)Cl)c(cc(c2)C(C)(C)C)C(C)(C)C)(OCC)([N]#CC)(Cl)Cl.C(#N)C.C(#N)C.C(#N)C |
| Title of publication | Tetraphenolate niobium and tantalum complexes for the ring opening polymerization of ε-caprolactone. |
| Authors of publication | Al-Khafaji, Yahya; Sun, Xinsen; Prior, Timothy J.; Elsegood, Mark R. J.; Redshaw, Carl |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 27 |
| Pages of publication | 12349 - 12356 |
| a | 12.6367 ± 0.0008 Å |
| b | 16.8848 ± 0.0011 Å |
| c | 21.6085 ± 0.0014 Å |
| α | 87.781 ± 0.005° |
| β | 87.412 ± 0.005° |
| γ | 73.944 ± 0.005° |
| Cell volume | 4424.5 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.1055 |
| Residual factor for significantly intense reflections | 0.0818 |
| Weighted residual factors for significantly intense reflections | 0.2159 |
| Weighted residual factors for all reflections included in the refinement | 0.2258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180046 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40. |
7034090.cif |
| 143640 | 2015-07-11 | cif/ Updating files of 7034090, 7034091, 7034092, 7034093, 7034094, 7034095, 7034096 Original log message: Adding full bibliography for 7034090--7034096.cif. |
7034090.cif |
| 132042 | 2015-02-19 | cif/ Adding structures of 7034090, 7034091, 7034092, 7034093, 7034094, 7034095, 7034096 via cif-deposit CGI script. |
7034090.cif |
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Users of the data should acknowledge the original authors of the
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