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Information card for entry 7052586
Preview
| Coordinates | 7052586.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (E,E)-((diethyl-2,2'-(1,2- phenylenebis(iminomethylidyne))bis(3-oxo-3-phenyl-propanato)(2-)- N,N',O$3!,O$3!')(1,3-bis(4-pyridyl) propane)iron(ii) |
|---|---|
| Chemical name | (E,E)-[{diethyl-2,2'-[1,2-phenylenebis(iminomethylidyne)]bis[3-oxo-3-phenyl- propanato](2-)-<i>N</i>,<i>N</i>',<i>O</i>^3^,<i>O</i>^3^'}(1,3-bis(4-pyridyl) propane)iron(II) |
| Formula | C43.54 H42.17 Fe N4 O6.54 |
| Calculated formula | C43.542 H42.168 Fe N4 O6.542 |
| Title of publication | Complete and incomplete spin transitions in 1D chain iron(ii) compounds |
| Authors of publication | Pfaffeneder, Toni M.; Thallmair, Sebastian; Bauer, Wolfgang; Weber, Birgit |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 3 |
| Pages of publication | 691 |
| a | 19.3122 ± 0.0004 Å |
| b | 16.5116 ± 0.0003 Å |
| c | 25.1186 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8009.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.841 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180079 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/25. |
7052586.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052586.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052586.cif |
| 14961 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052586, 7052587, 7052588, 7052589 via cif-deposit CGI script. |
7052586.cif |
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