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Information card for entry 7015839
Preview
| Coordinates | 7015839.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H53.5 Cu N10 Na O30 P2 |
|---|---|
| Calculated formula | C21 H53.635 Cu N10 Na O30 P2 |
| SMILES | [Cu]([n]1cn(c2c1C(=O)NC(=N2)N)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O1)O)O)([n]1cn(c2c1C(=O)NC(=N2)N)[C@H]1[C@H]2[C@@H]([C@@H](COP(=O)([O-])[O-])O1)[OH][Na]([OH]2)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])[OH2].CO.O.O.O.O.O.O |
| Title of publication | Chirality delivery from a chiral copper(II) nucleotide complex molecule to its supramolecular architecture. |
| Authors of publication | Zhou, Pei; Li, Hui |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 18 |
| Pages of publication | 4834 - 4837 |
| a | 14.842 ± 0.003 Å |
| b | 8.6829 ± 0.0015 Å |
| c | 16.272 ± 0.003 Å |
| α | 90° |
| β | 93.973 ± 0.003° |
| γ | 90° |
| Cell volume | 2092 ± 0.7 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1228 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7015839.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015839.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015839.cif |
| 21360 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7015839 via cif-deposit CGI script. |
7015839.cif |
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Users of the data should acknowledge the original authors of the
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