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Information card for entry 7033653
Preview
| Coordinates | 7033653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H22 Fe2 N O4 P S |
|---|---|
| Calculated formula | C31 H22 Fe2 N O4 P S |
| SMILES | c12ccccc1C1=[C]34C(C=[N]5CC[P](c6ccccc6)(c6ccccc6)[Fe]6745(C#[O])C(=O)[Fe]36(C#[O])(C#[O])[S]27)=CC=C1 |
| Title of publication | Formation, reactivity and redox properties of carbon- and sulfur-bridged diiron complexes derived from dibenzothienyl Schiff bases: effect of N,N- and N,P-chelating moieties. |
| Authors of publication | Santo, Kiyokazu; Hirotsu, Masakazu; Kinoshita, Isamu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 9 |
| Pages of publication | 4155 - 4166 |
| a | 10.492 ± 0.002 Å |
| b | 10.9986 ± 0.0019 Å |
| c | 12.772 ± 0.002 Å |
| α | 99.418 ± 0.005° |
| β | 108.249 ± 0.005° |
| γ | 91.169 ± 0.003° |
| Cell volume | 1376.8 ± 0.4 Å3 |
| Cell temperature | 153 K |
| Ambient diffraction temperature | 153 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0372 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0695 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.710747 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180042 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/36. |
7033653.cif |
| 133434 | 2015-03-06 | cif/ Updating files of 7033651, 7033652, 7033653, 7033654, 7033655, 7033656, 7033657 Original log message: Adding full bibliography for 7033651--7033657.cif. |
7033653.cif |
| 129685 | 2015-01-16 | cif/ Adding structures of 7033651, 7033652, 7033653, 7033654, 7033655, 7033656, 7033657 via cif-deposit CGI script. |
7033653.cif |
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Users of the data should acknowledge the original authors of the
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