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Information card for entry 7012971
Preview
| Coordinates | 7012971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H40 O15 P2 Pt Ru5 |
|---|---|
| Calculated formula | C64 H40 O15 P2 Pt Ru5 |
| SMILES | [Pt]12345([Ru]6789([Ru]%10%11%121([Ru]1%13%142([Ru]236([Ru]7%101([C]48%11%132)(C#[O])(C#[O])C9=O)(C%14=O)(C#[O])C#[O])(C%12=O)(C#[O])C#[O])(C#[O])C#[O])(C5=O)(C#[O])C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | The synthesis and characterisation of the cluster dianion [PtRu5C(CO)15]2? and its reactions with Au and Pt cationic fragments produced in situ |
| Authors of publication | Khimyak, Tetyana; Johnson, Brian F. G.; Hermans, Sophie; Bond, Andrew D. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 13 |
| Pages of publication | 2651 |
| a | 19.9966 ± 0.0005 Å |
| b | 15.2038 ± 0.0003 Å |
| c | 22.1662 ± 0.0006 Å |
| α | 90° |
| β | 112.918 ± 0.001° |
| γ | 90° |
| Cell volume | 6207.1 ± 0.3 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0791 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7012971.cif |
| 179833 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/29. |
7012971.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012971.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012971.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012971.cif |
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