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Information card for entry 7203608
Preview
| Coordinates | 7203608.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H34 Mn N4 O14 S2 |
|---|---|
| Calculated formula | C34 H34 Mn N4 O14 S2 |
| SMILES | c1cc(cc[n]1[Mn]([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)([OH2])[OH2])c1ccncc1.[O-]S(=O)(=O)c1ccc(C(=O)O)cc1.OC(=O)c1ccc(S(=O)(=O)[O-])cc1 |
| Title of publication | Monodentate function of the 4,4?-bipyridine that systematically occurs in the 4-sulfobenzoate manganese(ii) complexes: syntheses, crystal structures, and properties |
| Authors of publication | Zhang, Li-Ping; Zhu, Long-Guan |
| Journal of publication | CrystEngComm |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 11 |
| Pages of publication | 815 |
| a | 7.5821 ± 0.0007 Å |
| b | 7.7098 ± 0.0007 Å |
| c | 16.7833 ± 0.0016 Å |
| α | 92.261 ± 0.002° |
| β | 93.43 ± 0.002° |
| γ | 110.97 ± 0.001° |
| Cell volume | 912.52 ± 0.15 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0651 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1583 |
| Weighted residual factors for all reflections included in the refinement | 0.1689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180367 (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 7/20/36. |
7203608.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7203608.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7203608.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7203608.cif |
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Users of the data should acknowledge the original authors of the
structural data.