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Information card for entry 4063449
Preview
| Coordinates | 4063449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H41 Au Cl6 N2 |
|---|---|
| Calculated formula | C30 H41 Au Cl6 N2 |
| SMILES | [Au](Cl)(Cl)(Cl)=C1N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.C(Cl)(Cl)Cl |
| Title of publication | Synthetic and Structural Studies of [AuCl3(NHC)] Complexes |
| Authors of publication | Gaillard, Sylvain; Slawin, Alexandra M. Z.; Bonura, Allen T.; Stevens, Edwin D.; Nolan, Steven P. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 394 |
| a | 10.8366 ± 0.0019 Å |
| b | 18.42 ± 0.004 Å |
| c | 17.432 ± 0.003 Å |
| α | 90° |
| β | 90.283 ± 0.004° |
| γ | 90° |
| Cell volume | 3479.6 ± 1.1 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.1252 |
| Residual factor for significantly intense reflections | 0.0745 |
| Weighted residual factors for significantly intense reflections | 0.1985 |
| Weighted residual factors for all reflections included in the refinement | 0.2361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178529 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/34. |
4063449.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063449.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063449.cif |
| 19491 | 2011-05-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4063442, 4063443, 4063444, 4063445, 4063446, 4063447, 4063448, 4063449, 4063450, 4063451, 4063452 via cif-deposit CGI script. |
4063449.cif |
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Users of the data should acknowledge the original authors of the
structural data.