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Information card for entry 4321437
Preview
| Coordinates | 4321437.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [OsCl(dcpe)2]PF6 |
|---|---|
| Formula | C52 H96 Cl F6 Os P5 |
| Calculated formula | C52 H96 Cl F6 Os P5 |
| SMILES | [Os]12(Cl)([P](CC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](CC[P]2(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Oxo Complexes of Osmium(IV) Formed via Dioxygen Activation. X-ray Structures of [OsX(dcpe)2]PF6 (X = Cl, Br), [OsCl(η2-O2)(dcpe)2]BPh4, and [OsCl(O)(dcpe)2]BPh4 (dcpe = 1,2-Bis(dicyclohexylphosphino)ethane) |
| Authors of publication | Peter Barthazy; Michael Wörle; Heinz Rüegger; Antonio Mezzetti |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 4903 - 4912 |
| a | 14.632 ± 0.002 Å |
| b | 14.655 ± 0.002 Å |
| c | 26.239 ± 0.004 Å |
| α | 90° |
| β | 100.25° |
| γ | 90° |
| Cell volume | 5536.7 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0348 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0588 |
| Weighted residual factors for all reflections included in the refinement | 0.063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179317 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/14. |
4321437.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321437.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321437.cif |
| 18808 | 2011-05-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4321437 via cif-deposit CGI script. |
4321437.cif |
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