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Information card for entry 7016910
Preview
| Coordinates | 7016910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | k01prr31 1M |
|---|---|
| Formula | C46 H74 O2 P4 Pt2 S |
| Calculated formula | C46 H74 O2 P4 Pt2 S |
| SMILES | C1COc2c(c(C#C[Pt](c3ccccc3)([P](CC)(CC)CC)[P](CC)(CC)CC)sc2C#C[Pt](c2ccccc2)([P](CC)(CC)CC)[P](CC)(CC)CC)O1 |
| Title of publication | Synthesis and characterization of platinum(ii) di-ynes and poly-ynes incorporating ethylenedioxythiophene (EDOT) spacers in the backbone. |
| Authors of publication | Khan, Muhammad S.; Al-Suti, Mohammed K; Shah, Hakkikulla H.; Al-Humaimi, Said; Al-Battashi, Fathiya R; Bjernemose, Jens K.; Male, Louise; Raithby, Paul R.; Zhang, Ning; Köhler, Anna; Warren, John E. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 39 |
| Pages of publication | 10174 - 10183 |
| a | 31.894 ± 0.0003 Å |
| b | 9.661 ± 0.0001 Å |
| c | 33.603 ± 0.0004 Å |
| α | 90° |
| β | 103.24 ± 0.001° |
| γ | 90° |
| Cell volume | 10078.8 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0645 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1287 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179873 (current) | 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 7/01/69. |
7016910.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016910.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016910.cif |
| 28107 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7016909, 7016910, 7016911 via cif-deposit CGI script. |
7016910.cif |
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