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Information card for entry 2228103
Preview
| Coordinates | 2228103.cif |
|---|---|
| Structure factors | 2228103.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Di-μ-sulfato-bis[diaqua(1<i>H</i>-imidazo[4,5- <i>f</i>][1,10]phenanthroline)iron(II)] dihydrate |
|---|---|
| Formula | C26 H28 Fe2 N8 O14 S2 |
| Calculated formula | C26 H28 Fe2 N8 O14 S2 |
| SMILES | [n]12c3c4[n](cccc4c4c(c3ccc2)nc[nH]4)[Fe]21([OH2])(OS(=O)(=O)O[Fe]1([n]3cccc4c5c(c6ccc[n]1c6c34)[nH]cn5)(OS(=O)(=O)O2)([OH2])[OH2])[OH2].O.O |
| Title of publication | Di-μ-sulfato-bis[diaqua(1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline)iron(II)] dihydrate |
| Authors of publication | Yang, Ming-Xing; Lin, Shen; Shen, Hui-Ying; Chen, Li-Juan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1129 - m1130 |
| a | 10.2879 ± 0.0009 Å |
| b | 9.0738 ± 0.0008 Å |
| c | 17.0089 ± 0.0016 Å |
| α | 90° |
| β | 98.892 ± 0.005° |
| γ | 90° |
| Cell volume | 1568.7 ± 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 | 0.0526 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 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. |
2228103.cif 2228103.hkl |
| 181202 | 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 2/22/81. |
2228103.cif 2228103.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. |
2228103.cif 2228103.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228103.cif 2228103.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. | 2228103.cif 2228103.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228103.cif 2228103.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2228103.cif 2228103.hkl |
| 5140 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2228103 via cif-deposit CGI script. |
2228103.cif |
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Users of the data should acknowledge the original authors of the
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