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Information card for entry 7011135
Preview
| Coordinates | 7011135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H28 P2 Pt |
|---|---|
| Calculated formula | C35 H28 P2 Pt |
| SMILES | [Pt]1(C#CC#C)(C#CC#C)[P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1 |
| Title of publication | Preparation of buta-1,3-diynyl complexes of platinum(II) and their use in the construction of neutral molecular squares: synthesis, structural and theoretical characterisation of cyclo-{Pt(μ-CCCC)(dppe)}4 and related chemistry |
| Authors of publication | Michael I. Bruce; Karine Costuas; Jean-François Halet; Ben C. Hall; Paul J. Low; Brian K. Nicholson; Brian W. Skelton; Allan H. White |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 3 |
| Pages of publication | 383 - 398 |
| a | 9.683 ± 0.004 Å |
| b | 22.496 ± 0.005 Å |
| c | 12.993 ± 0.004 Å |
| α | 90° |
| β | 93.65 ± 0.03° |
| γ | 90° |
| Cell volume | 2824.5 ± 1.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| 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 | 0.069 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.041 |
| Goodness-of-fit parameter for all reflections | 0.98 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| 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. |
7011135.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011135.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011135.cif |
| 7477 | 2011-01-18 | cif/7/ Updating (redepositing) the rest of the series-7 files that had non-ASCII symbols in them. Hopefully these are the last instances of non-ASCII text creeped into COD (the new cif-tools should cnvert non-ASCII symbols into XML entities or flag them as errors). |
7011135.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011135.cif |
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Users of the data should acknowledge the original authors of the
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