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Information card for entry 4074730
Preview
Coordinates | 4074730.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H22 O12 Os3 P2 |
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Calculated formula | C39 H22 O12 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](C1=C([P]2(c2ccccc2)c2ccccc2)C(=O)CC1=O)(c1ccccc1)c1ccccc1)(C#[O])C#[O] |
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 | 11.0279 ± 0.0016 Å |
b | 19.913 ± 0.003 Å |
c | 18.382 ± 0.003 Å |
α | 90° |
β | 104.107 ± 0.002° |
γ | 90° |
Cell volume | 3914.9 ± 1 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 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 | 0.0336 |
Residual factor for significantly intense reflections | 0.0249 |
Weighted residual factors for significantly intense reflections | 0.0582 |
Weighted residual factors for all reflections included in the refinement | 0.0619 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4074730.html
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