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Information card for entry 4063654
Preview
Coordinates | 4063654.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H20 Cl3 F4 O9 Os3 P2 |
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Calculated formula | C40 H20 Cl3 F4 O9 Os3 P2 |
SMILES | [Os]12([Os]([Os]31([P](c1ccccc1)(c1ccccc1)c1c([P]3(c3c2cccc3)c2ccccc2)c(c(c(c1F)F)F)F)(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].ClC(Cl)Cl |
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 | 11.4132 ± 0.0006 Å |
b | 19.1086 ± 0.0011 Å |
c | 18.8695 ± 0.0011 Å |
α | 90° |
β | 95.543 ± 0.001° |
γ | 90° |
Cell volume | 4096 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.03 |
Residual factor for significantly intense reflections | 0.0238 |
Weighted residual factors for significantly intense reflections | 0.0563 |
Weighted residual factors for all reflections included in the refinement | 0.0591 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/4063654.html
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structural data.