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Information card for entry 4001686
Preview
| Coordinates | 4001686.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H14 Cl4 N2 O4 Pt |
|---|---|
| Calculated formula | C15 H14 Cl4 N2 O4 Pt |
| SMILES | COC(=O)c1cc[n]2c(c1)c1cc(cc[n]1[Pt]2(Cl)Cl)C(=O)OC.ClCCl |
| Title of publication | Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys |
| Authors of publication | Allenbaugh, Rachel J.; Schauer, Cynthia K.; Josey, Amanda; Martin, James D.; Anokhin, Denis V.; Ivanov, Dimitri A. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2012 |
| Journal volume | 24 |
| Journal issue | 23 |
| Pages of publication | 4517 |
| a | 17.2723 ± 0.0016 Å |
| b | 6.7511 ± 0.0007 Å |
| c | 17.6663 ± 0.0017 Å |
| α | 90° |
| β | 115.134 ± 0.006° |
| γ | 90° |
| Cell volume | 1865 ± 0.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| 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 | 0.0487 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for all reflections | 0.106 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4001686.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001686.cif |
| 71988 | 2013-01-21 | cif/ Adding structures of 4001686 via cif-deposit CGI script. |
4001686.cif |
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Users of the data should acknowledge the original authors of the
structural data.