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Information card for entry 7016428
Preview
| Coordinates | 7016428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H25 Cl2 N2 V |
|---|---|
| Calculated formula | C18 H25 Cl2 N2 V |
| SMILES | c12c3cccc2C[N]([V]1([N](C3)(C)C)(Cl)Cl)(C)C.c1ccccc1 |
| 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 | 8.1127 ± 0.0003 Å |
| b | 16.9371 ± 0.0007 Å |
| c | 14.3078 ± 0.0004 Å |
| α | 90° |
| β | 98.975 ± 0.002° |
| γ | 90° |
| Cell volume | 1941.9 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0693 |
| Weighted residual factors for all reflections included in the refinement | 0.0734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
7016428.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016428.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016428.cif |
| 27412 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7016425, 7016426, 7016427, 7016428, 7016429 via cif-deposit CGI script. |
7016428.cif |
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