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Information card for entry 2240235
Preview
| Coordinates | 2240235.cif |
|---|---|
| Structure factors | 2240235.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaqua(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')iron(II) sulfate |
|---|---|
| Formula | C12 H20 Fe N2 O8 S |
| Calculated formula | C12 H20 Fe N2 O8 S |
| SMILES | [Fe]1([n]2c(c3[n]1cc(cc3)C)ccc(c2)C)([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-] |
| Title of publication | Crystal structure of tetraaqua(5,5'-dimethyl-2,2'-bipyridyl-κ^2^<i>N</i>,<i>N</i>')iron(II) sulfate |
| Authors of publication | Belamri, Yamine; Setifi, Fatima; Francuski, Bojana M.; Novaković, Sladjana B.; Zouaoui, Setifi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 544 - 546 |
| a | 9.579 ± 0.0007 Å |
| b | 9.619 ± 0.0009 Å |
| c | 18.55 ± 0.0012 Å |
| α | 90° |
| β | 101.527 ± 0.005° |
| γ | 90° |
| Cell volume | 1674.7 ± 0.2 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0958 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.183 |
| Weighted residual factors for all reflections included in the refinement | 0.1957 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181902 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240235.cif 2240235.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240235.cif 2240235.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240235.cif 2240235.hkl |
| 127779 | 2014-11-22 | cif/ hkl/ Adding structures of 2240235 via cif-deposit CGI script. |
2240235.cif 2240235.hkl |
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Users of the data should acknowledge the original authors of the
structural data.