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Information card for entry 4063650
Preview
Coordinates | 4063650.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H26 Cl2 O10 Os3 P2 |
---|---|
Calculated formula | C41 H26 Cl2 O10 Os3 P2 |
SMILES | [Os]12([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])([P](c1c([P]2(c2ccccc2)c2ccccc2)cccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].ClCCl |
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 | 11.9406 ± 0.0003 Å |
b | 13.2173 ± 0.0004 Å |
c | 15.0648 ± 0.0004 Å |
α | 86.091 ± 0.001° |
β | 70.006 ± 0.001° |
γ | 66.423 ± 0.001° |
Cell volume | 2041.25 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.016 |
Residual factor for significantly intense reflections | 0.014 |
Weighted residual factors for significantly intense reflections | 0.0322 |
Weighted residual factors for all reflections included in the refinement | 0.0328 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
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/4063650.html
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Users of the data should acknowledge the original authors of the
structural data.