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Information card for entry 4068593
Preview
| Coordinates | 4068593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H86 Cl2 N2 O4 P2 Pt2 S2 |
|---|---|
| Calculated formula | C86 H86 Cl2 N2 O4 P2 Pt2 S2 |
| SMILES | c1(cc2c(c(c1)Cc1cccc(c1OCCCC)Cc1cc(cc(c1OCCCC)Cc1c(OCCCC)c(ccc1)C2)[P](c1ccccc1)(c1ccccc1)[Pt]1(c2ccsc2c2[n]1cccc2)Cl)OCCCC)[P](c1ccccc1)(c1ccccc1)[Pt]1(c2c(c3[n]1cccc3)scc2)Cl |
| Title of publication | Synthesis, Structures, and Photoluminescent Properties of Cyclometalated Platinum(II) Complexes bearing Upper-Rim Phosphinated Calix[4]arenes |
| Authors of publication | Lai, Siu-Wai; Chan, Queenie K.-W.; Han, Jie; Zhi, Yong-Gang; Zhu, Nianyong; Che, Chi-Ming |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 1 |
| Pages of publication | 34 |
| a | 25.505 ± 0.005 Å |
| b | 11.556 ± 0.002 Å |
| c | 28.183 ± 0.006 Å |
| α | 90° |
| β | 109.53 ± 0.02° |
| γ | 90° |
| Cell volume | 7829 ± 3 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0411 |
| Residual factor for significantly intense reflections | 0.0274 |
| Weighted residual factors for significantly intense reflections | 0.0626 |
| Weighted residual factors for all reflections included in the refinement | 0.0678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178575 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/85. |
4068593.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068593.cif |
| 39892 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068593, 4068594, 4068595 via cif-deposit CGI script. |
4068593.cif |
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Users of the data should acknowledge the original authors of the
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