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Information card for entry 4071463
Preview
| Coordinates | 4071463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 N2 |
|---|---|
| Calculated formula | C21 N2 |
| SMILES | N1(c2c(C)cccc2C)[C]N(c2c(cccc2C)C)CCCC1 |
| Title of publication | Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures |
| Authors of publication | Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3279 |
| a | 10.143 ± 0.0004 Å |
| b | 11.374 ± 0.0005 Å |
| c | 16.292 ± 0.0007 Å |
| α | 87.179 ± 0.002° |
| β | 86.37 ± 0.0019° |
| γ | 73.739 ± 0.0018° |
| Cell volume | 1799.77 ± 0.13 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 2 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.2742 |
| Residual factor for significantly intense reflections | 0.2097 |
| Weighted residual factors for all reflections | 0.4773 |
| Weighted residual factors for significantly intense reflections | 0.428 |
| Weighted residual factors for all reflections included in the refinement | 0.4773 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9893 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178603 (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 4/07/14. |
4071463.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071463.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071463.cif |
| 43857 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071462, 4071463, 4071464, 4071465, 4071466, 4071467, 4071468, 4071469, 4071470 via cif-deposit CGI script. |
4071463.cif |
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Users of the data should acknowledge the original authors of the
structural data.