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Information card for entry 4070799
Preview
| Coordinates | 4070799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H28 Au Cl2 Fe N2 P |
|---|---|
| Calculated formula | C35 H28 Au Cl2 Fe N2 P |
| SMILES | [Fe]12345678([cH]9[cH]4[cH]3[cH]2[cH]19)[c]1([cH]5[cH]6[cH]7[cH]81)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1cnc(cc1)c1ccccn1.C(Cl)Cl |
| 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 | 9.0155 ± 0.001 Å |
| b | 13.2674 ± 0.0015 Å |
| c | 14.053 ± 0.0016 Å |
| α | 89.565 ± 0.002° |
| β | 85.665 ± 0.002° |
| γ | 72.289 ± 0.002° |
| Cell volume | 1596.5 ± 0.3 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0436 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
4070799.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070799.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070799.cif |
| 42710 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070799 via cif-deposit CGI script. |
4070799.cif |
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Users of the data should acknowledge the original authors of the
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