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Information card for entry 4074732
Preview
| Coordinates | 4074732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H22 O12 Os3 P2 |
|---|---|
| Calculated formula | C47 H22 O12 Os3 P2 |
| SMILES | [Os]12([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])([P](C1=C([P]2(c2ccccc2)c2ccccc2)C(=O)CC1=O)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].c1(cc(ccc1)C)C |
| Title of publication | Diphosphine Isomerization and C−H and P−C Bond Cleavage Reactivity in the Triosmium Cluster Os3(CO)10(bpcd): Kinetic and Isotope Data for Reversible Ortho Metalation and X-ray Structures of the Bridging and Chelating Isomers of Os3(CO)10(bpcd) and the Benzyne-Substituted Cluster HOs3(CO)8(μ3-C6H4)[μ2,η1-PPhCC(PPh2)C(O)CH2C(O)]† |
| Authors of publication | Watson, William H.; Wu, Guanmin; Richmond, Michael G. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 4 |
| Pages of publication | 930 |
| a | 14.031 ± 0.004 Å |
| b | 30.894 ± 0.01 Å |
| c | 11.881 ± 0.004 Å |
| α | 90° |
| β | 115.05 ± 0.02° |
| γ | 90° |
| Cell volume | 4666 ± 3 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 | 0.1031 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.0782 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.923 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178636 (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 4/07/47. |
4074732.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074732.cif |
| 48726 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4074732 via cif-deposit CGI script. |
4074732.cif |
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