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Information card for entry 4071911
Preview
| Coordinates | 4071911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H78 Ge O7 Os3 P2 Pt |
|---|---|
| Calculated formula | C61 H78 Ge O7 Os3 P2 Pt |
| SMILES | [Pt]123([Os]456([Os]781([Os]192([P]7(C(C)(C)C)C(C)(C)C)([CH]48[C]51(=[CH]39)C)(C#[O])C#[O])(C#[O])(C#[O])[H]6)([Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O].c1ccccc1.c1ccccc1 |
| Title of publication | Activation of Hydrogen and Related Small Molecules by the Unsaturated Cluster Complex PtOs3(CO)7(PBut3)(μ-PBut2)(μ4-CHCMeCH) |
| Authors of publication | Adams, Richard D.; Boswell, Erin M.; Hall, Michael B.; Yang, Xinzheng |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 4938 |
| a | 17.5041 ± 0.001 Å |
| b | 19.0187 ± 0.0011 Å |
| c | 19.5406 ± 0.0011 Å |
| α | 90° |
| β | 102.623 ± 0.001° |
| γ | 90° |
| Cell volume | 6347.9 ± 0.6 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0709 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1034 |
| Weighted residual factors for all reflections included in the refinement | 0.1259 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178608 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/19. |
4071911.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071911.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071911.cif |
| 44111 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071911 via cif-deposit CGI script. |
4071911.cif |
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Users of the data should acknowledge the original authors of the
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