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Information card for entry 7011513
Preview
| Coordinates | 7011513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | HOs3(CO)10(C13H9O) |
|---|---|
| Formula | C23 H10 O11 Os3 |
| Calculated formula | C23 H10 O11 Os3 |
| SMILES | C(#[O])[Os]1234(C#[O])(C#[O])[C]56C=CO[C]15=[C]2(/C=C/c1ccccc1)[Os]4(C#[O])(C#[O])(C#[O])([H]3)[Os]6(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Unusual C‒H bond activation—aldol condensation of aromatic aldehydes with the methyl group of a carbene-like triosmium cluster |
| Authors of publication | Sergey P. Tunik; Irina A. Balova; Maxim E. Borovitov; Ebbe Nordlander; Matti Haukka; Tapani A. Pakkanen |
| Journal of publication | J. Chem. Soc., Dalton Trans. |
| Year of publication | 2002 |
| Journal issue | 6 |
| Pages of publication | 827 - 828 |
| a | 9.5216 ± 0.0001 Å |
| b | 9.6642 ± 0.0001 Å |
| c | 13.9842 ± 0.0002 Å |
| α | 97.8138 ± 0.0006° |
| β | 91.086 ± 0.0007° |
| γ | 96.8966 ± 0.0008° |
| Cell volume | 1264.82 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0237 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0549 |
| Weighted residual factors for all reflections included in the refinement | 0.0556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7011513.cif |
| 179819 | 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 7/01/15. |
7011513.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011513.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011513.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011513.cif |
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