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Information card for entry 4076871
Preview
| Coordinates | 4076871.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H32 Cl N2 V |
|---|---|
| Calculated formula | C22 H32 Cl N2 V |
| SMILES | [c]12([cH]3[cH]4[cH]5[cH]1[V]16782345([c]2([cH]8[cH]7[cH]6[cH]12)C1CCN(C)CC1)Cl)C1CCN(C)CC1 |
| Title of publication | Synthesis and Structure of Amino-Functionalized Cyclopentadienyl Vanadium Complexes and Evaluation of Their Butadiene Polymerization Behavior |
| Authors of publication | Bradley, Sam; Camm, Kenneth D.; Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.; Podesta, Thomas J.; Thornton-Pett, Mark |
| Journal of publication | Organometallics |
| Year of publication | 2002 |
| Journal volume | 21 |
| Journal issue | 16 |
| Pages of publication | 3443 |
| a | 7.4989 ± 0.0013 Å |
| b | 10.0473 ± 0.0014 Å |
| c | 15.745 ± 0.003 Å |
| α | 106.673 ± 0.011° |
| β | 93.165 ± 0.007° |
| γ | 102.437 ± 0.011° |
| Cell volume | 1101 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1436 |
| Weighted residual factors for all reflections included in the refinement | 0.1517 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178657 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/68. |
4076871.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076871.cif |
| 54097 | 2012-04-20 | cif/ Adding structures of 4076869, 4076870, 4076871, 4076872, 4076873, 4076874, 4076875, 4076876 via cif-deposit CGI script. |
4076871.cif |
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Users of the data should acknowledge the original authors of the
structural data.