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Information card for entry 4067388
Preview
| Coordinates | 4067388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H14 B P S2 |
|---|---|
| Calculated formula | C73 H14 B P S2 |
| SMILES | [BH3][P](c1ccccc1)(c1ccccc1)C12c3c4c5c1c1c6c7c5c5c8c4c4c9c%10c%11c%12c4c3c3c4C2c2c1c1c6c6c%13c7c5c5c(c7c%10c%10c%14c%15c%16c%17c(c6c6c1c1c2c4c2c(c%123)c(c%15c2c1c%166)c%11%10)c%13c5c7c%14%17)c89.C(=S)=S |
| Title of publication | Complexation and C−H/C−P Bond Activation of the (PPh2)C60H Molecule on Triosmium Carbonyl Clusters |
| Authors of publication | Yeh, Wen-Yann; Tsai, Kune-You |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 3 |
| Pages of publication | 604 |
| a | 12.8935 ± 0.0003 Å |
| b | 32.5244 ± 0.001 Å |
| c | 9.9545 ± 0.0003 Å |
| α | 90° |
| β | 106.646 ± 0.002° |
| γ | 90° |
| Cell volume | 3999.5 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1208 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1336 |
| Weighted residual factors for all reflections included in the refinement | 0.1771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.788 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178564 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/73. |
4067388.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067388.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067388.cif |
| 34184 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067388 via cif-deposit CGI script. |
4067388.cif |
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Users of the data should acknowledge the original authors of the
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