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Information card for entry 4072082
Preview
| Coordinates | 4072082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H25 Ag Cl2 N2 O20 Os6 |
|---|---|
| Calculated formula | C41 H25 Ag Cl2 N2 O20 Os6 |
| SMILES | c1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Cl]1[Os]23(C#[O])([Ag]4([Os]56([Cl][Os]45(C#[O])(C#[O])(C#[O])[Os]6(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Os]12(C#[O])(C#[O])(C#[O])[Os]3(C#[O])(C#[O])(C#[O])C#[O])(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 | 14.5755 ± 0.0008 Å |
| b | 21.6908 ± 0.0016 Å |
| c | 17.6188 ± 0.0011 Å |
| α | 90° |
| β | 106.714 ± 0.003° |
| γ | 90° |
| Cell volume | 5334.9 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1404 |
| Residual factor for significantly intense reflections | 0.0737 |
| Weighted residual factors for significantly intense reflections | 0.1721 |
| Weighted residual factors for all reflections included in the refinement | 0.2044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| 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. |
4072082.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072082.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072082.cif |
| 44219 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072082 via cif-deposit CGI script. |
4072082.cif |
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Users of the data should acknowledge the original authors of the
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