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Information card for entry 7001981
Preview
| Coordinates | 7001981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C19 H24 I N3 |
|---|---|
| Calculated formula | C19 H24 I N3 |
| SMILES | [I-].[N+]1(=CN(CCCC1)c1ncccc1)c1c(cc(cc1C)C)C |
| Title of publication | Expanded ring and functionalised expanded ring N-heterocyclic carbenes as ligands in catalysis |
| Authors of publication | Binobaid, Abeer; Iglesias, Manuel; Beetstra, Dirk J.; Kariuki, Benson; Dervisi, Athanasia; Fallis, Ian A.; Cavell, Kingsley J. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 35 |
| Pages of publication | 7099 |
| a | 13.432 ± 0.003 Å |
| b | 17.575 ± 0.004 Å |
| c | 7.9907 ± 0.0016 Å |
| α | 90° |
| β | 104.21 ± 0.03° |
| γ | 90° |
| Cell volume | 1828.6 ± 0.7 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0341 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0566 |
| Weighted residual factors for all reflections included in the refinement | 0.0591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7001981.cif |
| 179717 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/19. |
7001981.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001981.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001981.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001981.cif |
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Users of the data should acknowledge the original authors of the
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