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Information card for entry 4063651
Preview
| Coordinates | 4063651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H24 O10 Os3 P2 |
|---|---|
| Calculated formula | C40 H24 O10 Os3 P2 |
| SMILES | [Os]12([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])([P](c1c([P]2(c2ccccc2)c2ccccc2)cccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O] |
| Title of publication | Experimental and Computational Studies of the Isomerization Reactions of Bidentate Phosphine Ligands in Triosmium Clusters: Kinetics of the Rearrangements from Bridged to Chelated Isomers and X-ray Structures of the Clusters Os3(CO)10(dppbz), 1,1-Os3(CO)10(dppbzF4), HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6H4PPh2], and HOs3(CO)9[μ-1,2-PhP(C6H4-η1)C6F4PPh2] |
| Authors of publication | Zhang, Xue; Kandala, Srikanth; Yang, Li; Watson, William H.; Wang, Xiaoping; Hrovat, David A.; Borden, Weston Thatcher; Richmond, Michael G. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 5 |
| Pages of publication | 1253 |
| a | 10.9829 ± 0.0017 Å |
| b | 20.218 ± 0.003 Å |
| c | 17.53 ± 0.003 Å |
| α | 90° |
| β | 96.856 ± 0.003° |
| γ | 90° |
| Cell volume | 3864.7 ± 1.1 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0456 |
| Weighted residual factors for all reflections included in the refinement | 0.0492 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.905 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178531 (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 4/06/36. |
4063651.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063651.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063651.cif |
| 32638 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4063650, 4063651, 4063652, 4063653, 4063654 via cif-deposit CGI script. |
4063651.cif |
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