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Information card for entry 2232655
Preview
| Coordinates | 2232655.cif |
|---|---|
| Structure factors | 2232655.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaquabis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) naphthalene-1,5-disulfonate |
|---|---|
| Formula | C18 H26 Co N4 O10 S2 |
| Calculated formula | C18 H26 Co N4 O10 S2 |
| SMILES | c1c(c2c(c(ccc2)S(=O)(=O)[O-])cc1)S(=O)(=O)[O-].c1c[nH]c([n]1[Co]([n]1cc[nH]c1C)([OH2])([OH2])([OH2])[OH2])C |
| Title of publication | Tetraaquabis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)cobalt(II) naphthalene-1,5-disulfonate |
| Authors of publication | Jin, Yu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1686 |
| a | 8.026 ± 0.0016 Å |
| b | 12.923 ± 0.003 Å |
| c | 11.658 ± 0.002 Å |
| α | 90° |
| β | 99.27 ± 0.03° |
| γ | 90° |
| Cell volume | 1193.4 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0299 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181248 (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 2/23/26. |
2232655.cif 2232655.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. |
2232655.cif 2232655.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232655.cif 2232655.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. | 2232655.cif 2232655.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232655.cif 2232655.hkl |
| 31531 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232655 via cif-deposit CGI script. |
2232655.cif |
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Users of the data should acknowledge the original authors of the
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