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Information card for entry 7205574
Preview
| Coordinates | 7205574.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H38 N9 O9 S2 |
|---|---|
| Calculated formula | C23 H38 N9 O9 S2 |
| SMILES | S(=O)(=O)([O-])c1ccc(N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1.C(=[NH2+])(N)N.C(=[NH2+])(N)N.O=C1CC([N](=O)C(C1)(C)C)(C)C.O |
| Title of publication | Regulating low-dimensional magnetic behavior of organic radicals in crystalline hydrogen-bonded host frameworks |
| Authors of publication | Soegiarto, Airon C.; Yan, Wah; Kent, Andrew D.; Ward, Michael D. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 7 |
| Pages of publication | 2204 |
| a | 7.2608 ± 0.0003 Å |
| b | 23.5817 ± 0.0011 Å |
| c | 18.4741 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3163.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180386 (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 7/20/55. |
7205574.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205574.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205574.cif |
| 14943 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7205567, 7205568, 7205569, 7205570, 7205571, 7205572, 7205573, 7205574 via cif-deposit CGI script. |
7205574.cif |
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Users of the data should acknowledge the original authors of the
structural data.