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Information card for entry 7016046
Preview
| Coordinates | 7016046.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C40 H34 Fe N4 O Se2 |
|---|---|
| Calculated formula | C40 H34 Fe N4 O Se2 |
| SMILES | [Fe]12([Se]c3ccccc3)([Se]c3ccccc3)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O1CCCC1 |
| Title of publication | Homoleptic 1-D iron selenolate complexes-synthesis, structure, magnetic and thermal behaviour of [Fe(SeR)(2)] (R = Ph, Mes). |
| Authors of publication | Eichhöfer, Andreas; Buth, Gernot; Dolci, Francesco; Fink, Karin; Mole, Richard A.; Wood, Paul T. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 26 |
| Pages of publication | 7022 - 7032 |
| a | 14.849 ± 0.003 Å |
| b | 11.434 ± 0.002 Å |
| c | 20.168 ± 0.004 Å |
| α | 90° |
| β | 94.3 ± 0.03° |
| γ | 90° |
| Cell volume | 3414.6 ± 1.1 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0392 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0824 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7016046.cif |
| 179864 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/60. |
7016046.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016046.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016046.cif |
| 23614 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7016044, 7016045, 7016046, 7016047 via cif-deposit CGI script. |
7016046.cif |
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