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Information card for entry 2225951
Preview
| Coordinates | 2225951.cif |
|---|---|
| Structure factors | 2225951.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2- yl)benzenesulfonamidato]dipyridinecobalt(II) hemihydrate |
|---|---|
| Formula | C30 H29 Co N10 O4.5 S2 |
| Calculated formula | C30 H29 Co N10 O4.5 S2 |
| SMILES | [Co]12([n]3c(nccc3)N1S(=O)(=O)c1ccc(N)cc1)([n]1c(nccc1)N2S(=O)(=O)c1ccc(N)cc1)([n]1ccccc1)[n]1ccccc1.O |
| Title of publication | <i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato]dipyridinecobalt(II) hemihydrate |
| Authors of publication | Wang, Yan-Fei; Zou, Hong-Li; Luo, Xu-Jian; Chen, Zhen-Feng; Liang, Hong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | m548 |
| a | 39.618 ± 0.004 Å |
| b | 11.2407 ± 0.0009 Å |
| c | 14.5673 ± 0.0013 Å |
| α | 90° |
| β | 104.648 ± 0.002° |
| γ | 90° |
| Cell volume | 6276.5 ± 1 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2225951.cif 2225951.hkl |
| 181180 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/59. |
2225951.cif 2225951.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225951.cif 2225951.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225951.cif 2225951.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2225951.cif 2225951.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225951.cif 2225951.hkl |
| 1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2225951.cif 2225951.hkl |
| 1197 | 2010-06-06 | cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory. |
2225951.cif |
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Users of the data should acknowledge the original authors of the
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