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Information card for entry 2239672
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| Coordinates | 2239672.cif |
|---|---|
| Structure factors | 2239672.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis{<i>N</i>-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}iron(II) |
|---|---|
| Formula | C12 H24 Fe N2 O10 |
| Calculated formula | C12 H24 Fe N2 O10 |
| SMILES | C1(CO)(CO)C[OH][Fe]234([NH]1CC(=O)O2)[NH](C(CO)(CO)C[OH]3)CC(=O)O4 |
| Title of publication | Bis{<i>N</i>-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]glycinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}iron(II) |
| Authors of publication | Jiang, Ning; Hou, Juan-Juan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 7 |
| Pages of publication | m274 |
| a | 8.8198 ± 0.0007 Å |
| b | 9.0245 ± 0.0007 Å |
| c | 12.3533 ± 0.0007 Å |
| α | 90° |
| β | 127.224 ± 0.004° |
| γ | 90° |
| Cell volume | 782.94 ± 0.11 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0726 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0993 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181896 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/96. |
2239672.cif 2239672.hkl |
| 181315 | 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 2/23/96. |
2239672.cif 2239672.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. |
2239672.cif 2239672.hkl |
| 118109 | 2014-06-26 | cif/ hkl/ Adding structures of 2239672 via cif-deposit CGI script. |
2239672.cif 2239672.hkl |
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