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Information card for entry 4083370
Preview
| Coordinates | 4083370.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 Fe2 Ga O6 S2 |
|---|---|
| Calculated formula | C16 H15 Fe2 Ga O6 S2 |
| SMILES | [Ga]12([S]3[Fe]4(C#[O])([Fe]3([S]14)(C#[O])(C#[O])C#[O])(C#[O])C#[O])[c]1([c]2(c(c(c1C)C)C)C)C |
| Title of publication | Metal- and Ligand-Supported Reduction of the {Fe2S2} Cluster as a Path to Formation of Molecular Group 13 Element Complexes {Fe2S2M} (M = Al, Ga) |
| Authors of publication | Ogienko, Mikhail A.; Pushkarevsky, Nikolay A.; Smolentsev, Anton I.; Nadolinny, Vladimir A.; Ketkov, Sergey Yu.; Konchenko, Sergey N. |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 11 |
| Pages of publication | 2713 |
| a | 8.5155 ± 0.0017 Å |
| b | 11.299 ± 0.002 Å |
| c | 11.711 ± 0.002 Å |
| α | 70.08 ± 0.03° |
| β | 81.83 ± 0.03° |
| γ | 89.08 ± 0.03° |
| Cell volume | 1048 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0379 |
| Residual factor for significantly intense reflections | 0.0309 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178722 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/33. |
4083370.cif |
| 119269 | 2014-07-05 | cif/ Updating files of 4083369, 4083370, 4083371 Original log message: Adding full bibliography for 4083369--4083371.cif. |
4083370.cif |
| 114399 | 2014-05-24 | cif/ Adding structures of 4083369, 4083370, 4083371 via cif-deposit CGI script. |
4083370.cif |
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Users of the data should acknowledge the original authors of the
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