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Information card for entry 2240068
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| Coordinates | 2240068.cif |
|---|---|
| Structure factors | 2240068.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{2-[(2-hydroxyethyl)(pyridin-2-ylmethyl)amino]ethanolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}iron(III) dihydrate |
|---|---|
| Formula | C10 H19 Cl2 Fe N2 O4 |
| Calculated formula | C10 H17 Cl2 Fe N2 O4 |
| Title of publication | Crystal structure of dichlorido{2-[(2-hydroxyethyl)(pyridin-2-ylmethyl)amino]ethanolato-κ^4^<i>N</i>,<i>N</i>',<i>O</i>,<i>O</i>'}iron(III) dihydrate from synchrotron data |
| Authors of publication | Shin, Jong Won; Kim, Dae-Woong; Moon, Dohyun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 334 - 336 |
| a | 7.269 ± 0.0015 Å |
| b | 14.497 ± 0.003 Å |
| c | 14.094 ± 0.003 Å |
| α | 90° |
| β | 95.86 ± 0.03° |
| γ | 90° |
| Cell volume | 1477.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0285 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0724 |
| Weighted residual factors for all reflections included in the refinement | 0.0731 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.62998 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181900 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/00 |
2240068.cif 2240068.hkl |
| 181320 | 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 2/24/00. |
2240068.cif 2240068.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. |
2240068.cif 2240068.hkl |
| 125280 | 2014-10-12 | cif/ hkl/ Adding structures of 2240068 via cif-deposit CGI script. |
2240068.cif 2240068.hkl |
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