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Information card for entry 7002390
Preview
| Coordinates | 7002390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H16 Cu2 N2 O13 |
|---|---|
| Calculated formula | C26 H16 Cu2 N2 O13 |
| SMILES | [Cu]1234Oc5ccccc5C=[N]4[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4[O]2[Cu]241[N](=Cc1c(O2)cccc1)[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1[O]34)CO)CO.O |
| Title of publication | Role of the orientation of ‒OH groups in the sensitivity and selectivity of the interaction of M2+ with ribosyl- and galactosyl-imino-conjugates |
| Authors of publication | Singhal, Nitin K.; Mitra, Atanu; Rajsekhar, Gudneppanaver; Shaikh, Mobin M.; Kumar, Subodh; Guionneau, Philippe; Rao, Chebrolu P. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 39 |
| Pages of publication | 8432 - 8442 |
| a | 12.707 ± 0.006 Å |
| b | 7.2137 ± 0.0016 Å |
| c | 15.247 ± 0.009 Å |
| α | 90° |
| β | 105.07 ± 0.05° |
| γ | 90° |
| Cell volume | 1349.5 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1939 |
| Residual factor for significantly intense reflections | 0.0956 |
| Weighted residual factors for significantly intense reflections | 0.2035 |
| Weighted residual factors for all reflections included in the refinement | 0.2383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.836 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179721 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/23. |
7002390.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002390.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002390.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002390.cif |
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