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Information card for entry 4068116
Preview
| Coordinates | 4068116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | fac-tricarbonyltris(bromo(dimethyl)stibine)manganese(I) trifluoromethanesulfonate toluene solvate |
|---|---|
| Formula | C17 H26 Br3 F3 Mn O6 S Sb3 |
| Calculated formula | C17 H26 Br3 F3 Mn O6 S Sb3 |
| SMILES | [Mn]([Sb](Br)(C)C)([Sb](Br)(C)C)([Sb](Br)(C)C)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F.Cc1ccccc1 |
| Title of publication | Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases? |
| Authors of publication | Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 3 |
| Pages of publication | 1025 |
| a | 14.4226 ± 0.0005 Å |
| b | 14.6672 ± 0.001 Å |
| c | 14.5421 ± 0.001 Å |
| α | 90° |
| β | 102.658 ± 0.003° |
| γ | 90° |
| Cell volume | 3001.5 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0248 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0512 |
| Weighted residual factors for all reflections included in the refinement | 0.0525 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178571 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/81. |
4068116.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068116.cif |
| 38085 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4068109, 4068110, 4068111, 4068112, 4068113, 4068114, 4068115, 4068116, 4068117, 4068118, 4068119 via cif-deposit CGI script. |
4068116.cif |
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