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Information card for entry 4072120
Preview
| Coordinates | 4072120.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H18 Au2 Fe N2 |
|---|---|
| Calculated formula | C28 H18 Au2 Fe N2 |
| SMILES | [c]12([N]#C[Au]C#Cc3ccccc3)[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]3([cH]1[cH]7[cH]8[cH]63)[N]#C[Au]C#Cc1ccccc1 |
| Title of publication | Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene: From Orthodox to Unorthodox Behavior |
| Authors of publication | Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 24 |
| Pages of publication | 6419 |
| a | 9.0781 ± 0.0007 Å |
| b | 24.9236 ± 0.0018 Å |
| c | 13.4933 ± 0.0011 Å |
| α | 90° |
| β | 128.191 ± 0.005° |
| γ | 90° |
| Cell volume | 2399.5 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0539 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072120.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072120.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072120.cif |
| 44247 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072119, 4072120, 4072121, 4072122 via cif-deposit CGI script. |
4072120.cif |
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Users of the data should acknowledge the original authors of the
structural data.