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Information card for entry 4070798
Preview
| Coordinates | 4070798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H28 Au Fe P Ru |
|---|---|
| Calculated formula | C34 H28 Au Fe P Ru |
| SMILES | [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)[P](c1ccccc1)(c1ccccc1)[Au]C#C[c]12[cH]3[Ru]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Diphenylphosphinoferrocene Gold(I) Acetylides: Synthesis of Heterotri- and Heterotetrametallic Transition Metal Complexes |
| Authors of publication | Packheiser, Rico; Jakob, Alexander; Ecorchard, Petra; Walfort, Bernhard; Lang, Heinrich |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 1214 |
| a | 8.2561 ± 0.0008 Å |
| b | 11.9946 ± 0.0014 Å |
| c | 14.9913 ± 0.0019 Å |
| α | 99.395 ± 0.01° |
| β | 93.651 ± 0.009° |
| γ | 96.474 ± 0.009° |
| Cell volume | 1450.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.056 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0449 |
| Weighted residual factors for all reflections included in the refinement | 0.0476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.823 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178596 (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 4/07/07. |
4070798.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070798.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070798.cif |
| 42709 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070798 via cif-deposit CGI script. |
4070798.cif |
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Users of the data should acknowledge the original authors of the
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