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Information card for entry 7016047
Preview
| Coordinates | 7016047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C63 H51 Fe2 N7 O Se4 |
|---|---|
| Calculated formula | C63 H51 Fe2 N7 O Se4 |
| SMILES | [Se]([Fe]([Se]c1ccccc1)([Se]c1ccccc1)[Se]c1ccccc1)c1ccccc1.[Fe]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.N(C)(C)C=O |
| 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 | 13.29 ± 0.003 Å |
| b | 13.461 ± 0.003 Å |
| c | 16.475 ± 0.003 Å |
| α | 88.85 ± 0.03° |
| β | 77.74 ± 0.03° |
| γ | 89.44 ± 0.03° |
| Cell volume | 2879.5 ± 1.1 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1471 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| 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. |
7016047.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. |
7016047.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016047.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016047.cif |
| 23614 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7016044, 7016045, 7016046, 7016047 via cif-deposit CGI script. |
7016047.cif |
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