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Information card for entry 7014224
Preview
| Coordinates | 7014224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | HOs3(CO)8(C6H5O)(P(C6H4CF3)3) |
|---|---|
| Formula | C35 H18 F9 O9 Os3 P |
| Calculated formula | C35 H18 F9 O9 Os3 P |
| SMILES | C(#[O])[Os]123(C#[O])(C#[O])[C]45=[C]6(C7(C)[Os]1(C#[O])(C#[O])([P](c1ccc(cc1)C(F)(F)F)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)([Os]2567(C#[O])(C#[O])C#[O])[H]3)OC=C4 |
| Title of publication | Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters. Cyclization of the diyne and reversible exchange of the phosphine ligands between different positions of the "Os3C3" framework. |
| Authors of publication | Tunik, Sergey P.; Khripun, Vassily D.; Haukka, Matti; Pakkanen, Tapani A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 11 |
| Pages of publication | 1775 - 1782 |
| a | 8.6256 ± 0.0001 Å |
| b | 11.4157 ± 0.0002 Å |
| c | 37.6229 ± 0.0007 Å |
| α | 90° |
| β | 92.1791 ± 0.0009° |
| γ | 90° |
| Cell volume | 3701.94 ± 0.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0573 |
| Residual factor for significantly intense reflections | 0.0417 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0927 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179846 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/42. |
7014224.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7014224.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014224.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7014224.cif |
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