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Information card for entry 4072088
Preview
| Coordinates | 4072088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H28 N2 O11 Os4 |
|---|---|
| Calculated formula | C32 H28 N2 O11 Os4 |
| SMILES | [Os]45([H][Os]6([H][Os]([Os]6([H]5)(C#[O])(C#[O])C#[O])([H]4)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(c1n(c[n+](c1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C#[O])C#[O] |
| Title of publication | NHC Complexes of Osmium Clusters: A Structural and Reactivity Study |
| Authors of publication | Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5777 |
| a | 14.0262 ± 0.0005 Å |
| b | 15.9043 ± 0.0006 Å |
| c | 16.2287 ± 0.0006 Å |
| α | 96.672 ± 0.002° |
| β | 96.046 ± 0.002° |
| γ | 90.049 ± 0.002° |
| Cell volume | 3575.4 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.075 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1781 |
| Weighted residual factors for all reflections included in the refinement | 0.1878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178609 (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 4/07/20. |
4072088.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072088.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072088.cif |
| 44225 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072088 via cif-deposit CGI script. |
4072088.cif |
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Users of the data should acknowledge the original authors of the
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