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Information card for entry 7052587
Preview
| Coordinates | 7052587.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (2,2')-(1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane- 1,3-dione) (2-)-N,N',O$3!,O$3!')(bis(1H-imidazol-1-yl) methane)iron(ii) |
|---|---|
| Chemical name | [2,2']-[1,2-phenylenebis(iminomethylidyne)bis(1-phenylbutane-1,3-dione) (2-)-<i>N</i>,<i>N</i>',<i>O</i>^3^,<i>O</i>^3^'](bis(1<i>H</i>-imidazol-1-yl) methane)iron(II) |
| Formula | C35 H30 Fe N6 O4 |
| Calculated formula | C35 H30 Fe N6 O4 |
| 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 | 10.353 ± 0.0016 Å |
| b | 10.928 ± 0.002 Å |
| c | 15.794 ± 0.004 Å |
| α | 75.074 ± 0.019° |
| β | 81.233 ± 0.017° |
| γ | 64.423 ± 0.018° |
| Cell volume | 1555.7 ± 0.6 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0946 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| 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. |
7052587.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052587.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052587.cif |
| 14961 | 2011-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7052586, 7052587, 7052588, 7052589 via cif-deposit CGI script. |
7052587.cif |
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