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Information card for entry 2021585
Preview
| Coordinates | 2021585.cif |
|---|---|
| Structure factors | 2021585.hkl |
| Original IUCr paper | HTML |
| Chemical name | Pentacarbonyl-1κ^2^<i>C</i>,2κ^3^<i>C</i>-bis(μ-propanoato-1κ<i>O</i>:2κ<i>O</i>')[tris(4-methylphenyl)phosphane-1κ<i>P</i>]diosmium(<i>Os</i>—<i>Os</i>) |
|---|---|
| Formula | C32 H31 O9 Os2 P |
| Calculated formula | C32 H31 O9 Os2 P |
| SMILES | [Os]12([Os]([O]=C(O1)CC)(OC(=[O]2)CC)(C#[O])(C#[O])C#[O])([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(C#[O])C#[O] |
| Title of publication | Asymmetric diosmium sawhorse complexes |
| Authors of publication | Wilson, Kylie M.; Swartout, John W.; Touchton, Henry A.; Lambert, Erica N.; Johnstone, James E.; Archambeau, Ashley K.; Marolf, David M.; Mikeska, Emily R.; Lynch, Vincent M.; Nesterov, Vladimir N.; Reinheimer, Eric W.; Powell, Gregory L.; Powell, Cynthia B. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| Pages of publication | 529 - 537 |
| a | 10.0952 ± 0.0002 Å |
| b | 11.663 ± 0.0003 Å |
| c | 13.7536 ± 0.0003 Å |
| α | 88.6185 ± 0.0019° |
| β | 86.7627 ± 0.0018° |
| γ | 86.9563 ± 0.0019° |
| Cell volume | 1614.13 ± 0.06 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.02 |
| Residual factor for significantly intense reflections | 0.019 |
| Weighted residual factors for significantly intense reflections | 0.0457 |
| Weighted residual factors for all reflections included in the refinement | 0.0463 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215660 (current) | 2019-06-03 | cif/ Updating files of 2021580, 2021581, 2021582, 2021583, 2021584, 2021585, 2021586, 2021587 Original log message: Adding full bibliography for 2021580--2021587.cif. |
2021585.cif 2021585.hkl |
| 214580 | 2019-04-10 | cif/ hkl/ Adding structures of 2021580, 2021581, 2021582, 2021583, 2021584, 2021585, 2021586, 2021587 via cif-deposit CGI script. |
2021585.cif 2021585.hkl |
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Users of the data should acknowledge the original authors of the
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