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Information card for entry 4082461
Preview
| Coordinates | 4082461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C154 H20 N4 O4 Os3 S4 |
|---|---|
| Calculated formula | C154 H20 N4 O4 Os3 S4 |
| SMILES | C(#[O])[Os]123(C#[O])([N]#Cc4ccccc4)[N](=Cc4ccccc4)[Os]4562(C#[O])c2c(C7[C]89[C]%10%11c%12c%13c%14c9c9c%15c8c8C%16%17C(c%18ccccc%18)=[N]1[Os]13%11(C#[O])([C]3%11c%18c%19c%20c3c3[C]%215=[C]54[C]1=%11c1c4c5c5c%11c%21c%21c3c3c%20c%20c%22c3c3c%21c%21c%11c%11c5c5c4c4c%23c1c%18c1c%18c%19c%20c%19c%20c%22c%22c3c%21c3c%11c%11c5c4c4c(c%231)c(c%18%19)c1c4c%11c3c%22c%201)([C]=%10%16c1c%12c3c4c%13c5c%14c%10c9c9c%11c%15c%12c8c8c%17c%13c1c1c3c3c4c4c5c5c%10c9c9c%10c%11c%12c%11c8c8c%13c1c1c3c3c4c5c9c4c%10c%11c8c1c34)[N]6=7)cccc2.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 | 27.076 ± 0.003 Å |
| b | 14.7591 ± 0.0019 Å |
| c | 25.284 ± 0.003 Å |
| α | 90° |
| β | 114.453 ± 0.007° |
| γ | 90° |
| Cell volume | 9198 ± 2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.1431 |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1594 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
| 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. |
4082461.cif |
| 104410 | 2014-03-11 | cif/ Adding structures of 4082460, 4082461 via cif-deposit CGI script. |
4082461.cif |
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Users of the data should acknowledge the original authors of the
structural data.