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Information card for entry 2229231
Preview
Coordinates | 2229231.cif |
---|---|
Structure factors | 2229231.hkl |
Original IUCr paper | HTML |
Chemical name | [μ-Bis(diphenylphosphanyl)ethane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>- (triphenylstibine-3κ<i>Sb</i>)-<i>triangulo</i>-triruthenium(0) |
---|---|
Formula | C53 H39 O9 P2 Ru3 Sb |
Calculated formula | C53 H39 O9 P2 Ru3 Sb |
SMILES | [Sb]([Ru]1([Ru]2([Ru]1([P](CC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | [μ-Bis(diphenylphosphanyl)ethane-1:2κ^2^<i>P</i>:<i>P</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-(triphenylstibine-3κ<i>Sb</i>)-<i>triangulo</i>-triruthenium(0) |
Authors of publication | bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Sirat, Siti Syaida; Yeap, Chin Sing; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 2 |
Pages of publication | m177 - m178 |
a | 15.1589 ± 0.0008 Å |
b | 18.6156 ± 0.001 Å |
c | 20.0398 ± 0.0011 Å |
α | 113.233 ± 0.001° |
β | 97.986 ± 0.001° |
γ | 97.339 ± 0.001° |
Cell volume | 5041.5 ± 0.5 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 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 | 0.0666 |
Residual factor for significantly intense reflections | 0.0445 |
Weighted residual factors for significantly intense reflections | 0.0995 |
Weighted residual factors for all reflections included in the refinement | 0.1212 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229231.html
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