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Information card for entry 7013899
Preview
| Coordinates | 7013899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C63 H50 Au P3 Ru |
|---|---|
| Calculated formula | C63 H50 Au P3 Ru |
| SMILES | [Au](=C=C=C=C=[Ru]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Preparation, structures and some reactions of novel diynyl complexes of iron and ruthenium. |
| Authors of publication | Bruce, Michael I.; Ellis, Benjamin G.; Gaudio, Maryka; Lapinte, Claude; Melino, Giovanni; Paul, Frédéric; Skelton, Brian W.; Smith, Mark E.; Toupet, Loic; White, Allan H. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 10 |
| Pages of publication | 1601 - 1609 |
| a | 8.884 ± 0.001 Å |
| b | 31.781 ± 0.004 Å |
| c | 20.48 ± 0.003 Å |
| α | 90° |
| β | 98.529 ± 0.002° |
| γ | 90° |
| Cell volume | 5718.4 ± 1.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.137 |
| Residual factor for significantly intense reflections | 0.094 |
| Weighted residual factors for all reflections | 0.145 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections | 1.228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.313 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7013899.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013899.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013899.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013899.cif |
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Users of the data should acknowledge the original authors of the
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