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Information card for entry 4072122
Preview
| Coordinates | 4072122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H46 Au2 Fe3 P2 |
|---|---|
| Calculated formula | C58 H46 Au2 Fe3 P2 |
| SMILES | [P]([Au]C#C[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)([c]12[Fe]3456789([c]%10([P]([Au]C#C[c]%11%12[cH]%13[cH]%14[cH]%15[cH]%11[Fe]%11%16%17%18%12%13%14%15[cH]%12[cH]%11[cH]%16[cH]%17[cH]%18%12)(c%11ccccc%11)c%11ccccc%11)[cH]3[cH]5[cH]7[cH]9%10)[cH]1[cH]4[cH]6[cH]28)(c1ccccc1)c1ccccc1 |
| 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 | 14.6431 ± 0.0008 Å |
| b | 11.779 ± 0.0005 Å |
| c | 27.4725 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4738.5 ± 0.4 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0862 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.0808 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
| 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. |
4072122.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072122.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072122.cif |
| 44247 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072119, 4072120, 4072121, 4072122 via cif-deposit CGI script. |
4072122.cif |
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Users of the data should acknowledge the original authors of the
structural data.