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Information card for entry 7200415
Preview
| Coordinates | 7200415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ssh0471 |
|---|---|
| Formula | C96 H112 Br4 Cu2 N24 O8 |
| Calculated formula | C96 H112 Br4 Cu2 N24 O8 |
| SMILES | [Br]([Cu]12([O]=C(Nc3[n]1cccc3)NC(C)(C)c1cccc(c1)C(NC(=O)Nc1ncccc1)(C)C)[O]=C(Nc1[n]2cccc1)NC(C)(C)c1cccc(c1)C(NC(=O)Nc1ncccc1)(C)C)[Cu]12([O]=C(Nc3[n]1cccc3)NC(C)(C)c1cccc(c1)C(NC(=O)Nc1ncccc1)(C)C)[O]=C(Nc1[n]2cccc1)NC(C)(C)c1cccc(c1)C(NC(=O)Nc1ncccc1)(C)C.[Br-].[Br-].[Br-] |
| Title of publication | Structural similarity of hydrogen-bonded and metal-coordinated abiotic base pairs allows oligonucleotide-like mutual stacking, |
| Authors of publication | Piepenbrock, Marc-Oliver M.; Anderson, Kirsty M.; Sansam, Benedict C. R.; Clarke, Nigel; Steed, Jonathan W. |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 1 |
| Pages of publication | 118 |
| a | 17.342 ± 0.006 Å |
| b | 17.226 ± 0.018 Å |
| c | 17.589 ± 0.017 Å |
| α | 90° |
| β | 103.71 ± 0.06° |
| γ | 90° |
| Cell volume | 5105 ± 8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1358 |
| Residual factor for significantly intense reflections | 0.1071 |
| Weighted residual factors for significantly intense reflections | 0.27 |
| Weighted residual factors for all reflections included in the refinement | 0.2887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.6941 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180335 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/04. |
7200415.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7200415.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7200415.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7200415.cif |
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