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Information card for entry 1545751
Preview
| Coordinates | 1545751.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C67 H80 N2 O10 |
|---|---|
| Calculated formula | C67 H80 N2 O10 |
| SMILES | O(c1cc2Cc3c(c4ccncc4)cc(c(c3)c3ccncc3)Cc3c(OCC)cc(Cc4c(OCC)cc(Cc5c(OCC)cc(Cc1cc2OCC)c(OCC)c5)c(OCC)c4)c(OCC)c3)CC.O=C(C)C.O=C(C)C |
| Title of publication | Two novel supramolecular metallogels constructed by platinum(II) coordination and pillar[5]arene-based host‒guest interactions |
| Authors of publication | li, zhengtao; Xing, Hao; Shi, Bingbing |
| Journal of publication | Polym. Chem. |
| Year of publication | 2017 |
| a | 25.3293 ± 0.0007 Å |
| b | 20.1695 ± 0.0005 Å |
| c | 23.6895 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12102.5 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 32 |
| Hermann-Mauguin space group symbol | P b a 2 |
| Hall space group symbol | P 2 -2ab |
| Residual factor for all reflections | 0.1727 |
| Residual factor for significantly intense reflections | 0.0889 |
| Weighted residual factors for significantly intense reflections | 0.2365 |
| Weighted residual factors for all reflections included in the refinement | 0.3001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195484 (current) | 2017-04-18 | cif/ Adding structures of 1545751 via cif-deposit CGI script. |
1545751.cif |
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Users of the data should acknowledge the original authors of the
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