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Information card for entry 4082460
Preview
| Coordinates | 4082460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C149 H15 N3 O5 Os3 S6 |
|---|---|
| Calculated formula | C149 H15 N3 O5 Os3 S6 |
| SMILES | C(#[O])[Os]123(C#[O])(C#[O])[N]4=C(c5ccccc5)C56[C]78=[C]9%10C%11(C%12c%13c(cccc%13)[Os]%13%143(C#[O])([C]3%15[C]%16%17=[C]%18(c%19c%20[C]%13=3c3c%13c%21c%15c%15c%16c%16c%22c%18c%18c%19c%19c%23c%20c3c3c%20c%13c%13c%21c%21c%15c%15c%16c%16c%22c%22c%18c%18c%19c%19c%23c3c3c%20c%20c%13c%13c%21c%15c%15c%16c%16c%22c%18c%18c%19c3c3c%18c%16c%15c%13c%203)[Os]248%10%17(C#[O])[N]=%12%14)[N]1=Cc1ccccc1)c1c5c2c3c6c4c5c7c6c9c7c8c%11c9c1c1c2c2c%10c3c3c4c4c5c5c6c6c7c7c8c8c9c9c1c2c1c2c%10c3c3c4c4c5c6c5c7c6c8c9c1c1c2c3c4c5c61.C(=S)=S.C(=S)=S.C(=S)=S |
| Title of publication | Unusual Coupling Reaction of C60and Benzonitrile with Triosmium Carbonyls To Generate Fullerodiketimide Cluster Complexes |
| Authors of publication | Lin, Yi-Sin; Yeh, Wen-Yann |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 3 |
| Pages of publication | 731 |
| a | 17.2115 ± 0.0011 Å |
| b | 18.9698 ± 0.0014 Å |
| c | 19.1654 ± 0.0014 Å |
| α | 99.957 ± 0.005° |
| β | 113.19 ± 0.004° |
| γ | 111.212 ± 0.004° |
| Cell volume | 4985.8 ± 0.7 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1577 |
| Residual factor for significantly intense reflections | 0.105 |
| Weighted residual factors for significantly intense reflections | 0.2802 |
| Weighted residual factors for all reflections included in the refinement | 0.3027 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178713 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/24. |
4082460.cif |
| 104410 | 2014-03-11 | cif/ Adding structures of 4082460, 4082461 via cif-deposit CGI script. |
4082460.cif |
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Users of the data should acknowledge the original authors of the
structural data.