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Information card for entry 4071139
Preview
| Coordinates | 4071139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H10 Fe4 O9 S2 |
|---|---|
| Calculated formula | C21 H10 Fe4 O9 S2 |
| SMILES | [Fe]12([Fe]34([Fe]([S]24)(C#[O])(C#[O])(C#[O])C([S]13)=C[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Formation of N-Methylated Cyclic Ligand Systems from Unusual Reactions between TrimethylamineN-Oxide and Acetylenes on Fe3Te2(CO)9and Contrast with Reactions on Fe3E2(CO)9(E = S, Se) |
| Authors of publication | Mathur, Pradeep; Singh, Amrendra K.; Mohanty, Jamini R.; Chatterjee, Saurav; Mobin, Shaikh M. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 5094 |
| a | 13.6715 ± 0.0012 Å |
| b | 7.1808 ± 0.0005 Å |
| c | 24.949 ± 0.002 Å |
| α | 90° |
| β | 94.762 ± 0.007° |
| γ | 90° |
| Cell volume | 2440.8 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1422 |
| Residual factor for significantly intense reflections | 0.0769 |
| Weighted residual factors for significantly intense reflections | 0.1514 |
| Weighted residual factors for all reflections included in the refinement | 0.177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178600 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/11. |
4071139.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071139.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071139.cif |
| 43064 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071137, 4071138, 4071139, 4071140 via cif-deposit CGI script. |
4071139.cif |
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Users of the data should acknowledge the original authors of the
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