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Information card for entry 4074731
Preview
Coordinates | 4074731.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H29 O10 Os3 P2 |
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Calculated formula | C44 H29 O10 Os3 P2 |
SMILES | [Os]123([Os]45([Os]([P]2(C2=C([P]1(c1ccccc1)c1ccccc1)C(=O)CC2=O)c1ccccc1)([C]15=[C]34C=CC=C1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O].c1(ccccc1)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 | 22.35 ± 0.006 Å |
b | 11.511 ± 0.003 Å |
c | 17.383 ± 0.005 Å |
α | 90° |
β | 111.281 ± 0.005° |
γ | 90° |
Cell volume | 4167 ± 2 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 | 0.1181 |
Residual factor for significantly intense reflections | 0.078 |
Weighted residual factors for significantly intense reflections | 0.1643 |
Weighted residual factors for all reflections included in the refinement | 0.1809 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
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/4074731.html
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