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Information card for entry 2232569
Preview
| Coordinates | 2232569.cif |
|---|---|
| Structure factors | 2232569.hkl |
| Original IUCr paper | HTML |
| Common name | Diaquabis(dimethyl sulfoxide-κ<i>O</i>)bis(saccharinato-κ<i>N</i>)cobalt(II) |
|---|---|
| Chemical name | Diaquabis(dimethyl sulfoxide-κ<i>O</i>)bis(1,1,3-trioxo-2,3- dihydro-1λ^6^,2-benzothiazol-2-ido-κ<i>N</i>)cobalt(II) |
| Formula | C18 H24 Co N2 O10 S4 |
| Calculated formula | C18 H24 Co N2 O10 S4 |
| SMILES | c12ccccc1C(=O)N(S2(=O)=O)[Co]([O]=S(C)C)([OH2])(N1C(=O)c2c(cccc2)S1(=O)=O)([O]=S(C)C)[OH2] |
| Title of publication | Diaquabis(dimethyl sulfoxide-κ<i>O</i>)bis(saccharinato-κ<i>N</i>)cobalt(II) |
| Authors of publication | Potwana, Fezile S. W.; Van Zyl, Werner E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1667 - m1668 |
| a | 10.2304 ± 0.0003 Å |
| b | 15.1418 ± 0.0006 Å |
| c | 7.8615 ± 0.0003 Å |
| α | 90° |
| β | 98.068 ± 0.002° |
| γ | 90° |
| Cell volume | 1205.75 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/25. |
2232569.cif 2232569.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232569.cif 2232569.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232569.cif 2232569.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. | 2232569.cif 2232569.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232569.cif 2232569.hkl |
| 31442 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232569 via cif-deposit CGI script. |
2232569.cif |
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Users of the data should acknowledge the original authors of the
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