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Information card for entry 7011338
Preview
| Coordinates | 7011338.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Compound 2M |
|---|---|
| Formula | C50 H76 N2 P4 Pt2 |
| Calculated formula | C50 H76 N2 P4 Pt2 |
| SMILES | [Pt](C#Cc1nc(ccc1)c1nc(ccc1)C#C[Pt](c1ccccc1)([P](CC)(CC)CC)[P](CC)(CC)CC)(c1ccccc1)([P](CC)(CC)CC)[P](CC)(CC)CC |
| Title of publication | Structural characterisation of a series of acetylide-functionalised oligopyridines and the synthesis, characterisation and optical spectroscopy of platinum di-ynes and poly-ynes containing oligopyridyl linker groups in the backbone |
| Authors of publication | Muhammad S. Khan; Muna R. A. Al-Mandhary; Mohammed K. Al-Suti; Abdul Khader Hisahm; Paul R. Raithby; Birte Ahrens; Mary F. Mahon; Louise Male; Elisabeth A. Marseglia; Emilio Tedesco; Richard H. Friend; Anna Köhler; Neil Feeder; Simon J. Teat |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 7 |
| Pages of publication | 1358 - 1368 |
| a | 23.54 ± 0.007 Å |
| b | 9.389 ± 0.003 Å |
| c | 25.662 ± 0.007 Å |
| α | 90° |
| β | 116.005 ± 0.014° |
| γ | 90° |
| Cell volume | 5098 ± 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 | 0.0683 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.1475 |
| Weighted residual factors for all reflections included in the refinement | 0.1508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.286 |
| Diffraction radiation wavelength | 0.6898 Å |
| Diffraction radiation type | Synchrotron |
| 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. |
7011338.cif |
| 179817 | 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 7/01/13. |
7011338.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011338.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011338.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011338.cif |
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