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Information card for entry 7016429
Preview
| Coordinates | 7016429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H37 Cl N4 Ti |
|---|---|
| Calculated formula | C24 H37 Cl N4 Ti |
| SMILES | [Ti]1234(Cl)([N](Cc5c2ccc(c5)CN(C)C)(C3)C)[N](Cc2c4c(ccc2)C[N]1(C)C)(C)C |
| Title of publication | Mono N,C,N-pincer complexes of titanium, vanadium and niobium. Synthesis, structure and catalytic activity in olefin polymerisation. |
| Authors of publication | Chuchuryukin, Alexey V.; Huang, Rubin; van Faassen, Ernst E.; van Klink, Gerard P. M.; Lutz, Martin; Chadwick, John C.; Spek, Anthony L.; van Koten, Gerard |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 35 |
| Pages of publication | 8887 - 8895 |
| a | 8.1813 ± 0.0003 Å |
| b | 19.5313 ± 0.0007 Å |
| c | 15.4144 ± 0.0004 Å |
| α | 90° |
| β | 91.718 ± 0.001° |
| γ | 90° |
| Cell volume | 2461.98 ± 0.14 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 | 0.0434 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179868 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/64. |
7016429.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016429.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016429.cif |
| 27412 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7016425, 7016426, 7016427, 7016428, 7016429 via cif-deposit CGI script. |
7016429.cif |
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