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Information card for entry 4113687
Preview
| Coordinates | 4113687.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C144 H228 N12 O18 P12 Pt6 |
|---|---|
| Calculated formula | C144 H218 N12 O18 P12 Pt6 |
| SMILES | c12ccc3c(c1)c1c(cc3)ccc(c1)[Pt]([n]1ccc(cc1)c1cc[n](cc1)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc3c(c4c(ccc(c4)[Pt]([n]4ccc(c5cc[n](cc5)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)c5ccc6ccc7ccc(cc7c6c5)[Pt]([n]5ccc(c6cc[n](cc6)[Pt]2([P](CC)(CC)CC)[P](CC)(CC)CC)cc5)([P](CC)(CC)CC)[P](CC)(CC)CC)cc4)([P](CC)(CC)CC)[P](CC)(CC)CC)cc3)c1)([P](CC)(CC)CC)[P](CC)(CC)CC.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Coordination-Driven Self-Assembly of Predesigned Supramolecular Triangles |
| Authors of publication | Yury K. Kryschenko; S. Russell Seidel; Atta M. Arif; Peter J. Stang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 5193 - 5198 |
| a | 10.4887 ± 0.0002 Å |
| b | 41.3852 ± 0.001 Å |
| c | 23.0853 ± 0.0006 Å |
| α | 90° |
| β | 99.366 ± 0.001° |
| γ | 90° |
| Cell volume | 9887.2 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1434 |
| Residual factor for significantly intense reflections | 0.0928 |
| Weighted residual factors for significantly intense reflections | 0.2755 |
| Weighted residual factors for all reflections included in the refinement | 0.3021 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178907 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/36. |
4113687.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113687.cif |
| 66957 | 2012-09-18 | cif/ Adding structures of 4113687 via cif-deposit CGI script. |
4113687.cif |
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Users of the data should acknowledge the original authors of the
structural data.