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Information card for entry 4070800
Preview
| Coordinates | 4070800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H70 Au Cu F6 Fe N2 P2 Si4 Ti |
|---|---|
| Calculated formula | C60 H70 Au Cu F6 Fe N2 P2 Si4 Ti |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]2([cH]1[cH]6[cH]7[cH]82)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1c[n]2c(cc1)c1cccc[n]1[Cu]1342[C](#[C]1[Si](C)(C)C)[Ti]1256789%10([C]3#[C]4[Si](C)(C)C)([c]3([cH]7[cH]6[cH]2[cH]13)[Si](C)(C)C)[c]1([cH]5[cH]%10[cH]9[cH]81)[Si](C)(C)C.[P](F)(F)(F)(F)(F)[F-] |
| 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 | 16.9879 ± 0.0008 Å |
| b | 21.3635 ± 0.0011 Å |
| c | 22.9555 ± 0.0011 Å |
| α | 98.857 ± 0.001° |
| β | 95.766 ± 0.001° |
| γ | 105.072 ± 0.001° |
| Cell volume | 7861.9 ± 0.7 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 10 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1436 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.1979 |
| Weighted residual factors for all reflections included in the refinement | 0.2268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178597 (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 4/07/08. |
4070800.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070800.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070800.cif |
| 42711 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070800 via cif-deposit CGI script. |
4070800.cif |
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Users of the data should acknowledge the original authors of the
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