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Information card for entry 4064190
Preview
| Coordinates | 4064190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H60 N2 Os P2 |
|---|---|
| Calculated formula | C30 H60 N2 Os P2 |
| SMILES | [OsH4]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]1cn(cc1)c1c(cc(cc1C)C)C |
| Title of publication | Osmium NHC Complexes from Alcohol-Functionalized Imidazoles and Imidazolium Salts |
| Authors of publication | Eguillor, Beatriz; Esteruelas, Miguel A.; García-Raboso, Jorge; Oliván, Montserrat; Oñate, Enrique; Pastor, Isidro M.; Peñafiel, Itziar; Yus, Miguel |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 6 |
| Pages of publication | 1658 |
| a | 12.222 ± 0.0016 Å |
| b | 15.4235 ± 0.0019 Å |
| c | 17.219 ± 0.002 Å |
| α | 90° |
| β | 98.9 ± 0.002° |
| γ | 90° |
| Cell volume | 3206.8 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0785 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.0556 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.74 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178535 (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 4/06/41. |
4064190.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064190.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064190.cif |
| 32811 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064190, 4064191, 4064192 via cif-deposit CGI script. |
4064190.cif |
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Users of the data should acknowledge the original authors of the
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