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Information card for entry 4066872
Preview
| Coordinates | 4066872.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H57.5 B2 F8 N4.5 Os |
|---|---|
| Calculated formula | C42 H57.5 B2 F8 N4.5 Os |
| Title of publication | C−C Bond Activation of the NHC Ligand of an Osmium−Amido Complex |
| Authors of publication | Bolaño, Tamara; Buil, María L.; Esteruelas, Miguel A.; Izquierdo, Susana; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 20 |
| Pages of publication | 4517 |
| a | 11.288 ± 0.003 Å |
| b | 19.507 ± 0.005 Å |
| c | 20.839 ± 0.006 Å |
| α | 90° |
| β | 99.531 ± 0.007° |
| γ | 90° |
| Cell volume | 4525 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1184 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.0951 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.718 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4066872.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4066872.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066872.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066872.cif |
| 34009 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066872, 4066873, 4066874, 4066875, 4066876 via cif-deposit CGI script. |
4066872.cif |
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Users of the data should acknowledge the original authors of the
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