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Information card for entry 2224778
Preview
Coordinates | 2224778.cif |
---|---|
Structure factors | 2224778.hkl |
Original IUCr paper | HTML |
Chemical name | (Benzyldiphenylphosphine-3κ<i>P</i>)[μ-bis(diphenylarsino)methane- 1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl- 1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-triruthenium(0) |
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Formula | C53 H39 As2 O9 P Ru3 |
Calculated formula | C53 H39 As2 O9 P Ru3 |
SMILES | [Ru]12([Ru]([Ru]1([P](c1ccccc1)(c1ccccc1)Cc1ccccc1)(C#[O])(C#[O])C#[O])([As](C[As]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
Title of publication | (Benzyldiphenylphosphine-3κ<i>P</i>)[μ-bis(diphenylarsino)methane-1:2κ^2^<i>As</i>:<i>As</i>']nonacarbonyl-1κ^3^<i>C</i>,2κ^3^<i>C</i>,3κ^3^<i>C</i>-<i>triangulo</i>-triruthenium(0) |
Authors of publication | bin Shawkataly, Omar; Khan, Imthyaz Ahmed; Yeap, Chin Sing; Fun, Hoong-Kun |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 1 |
Pages of publication | m73 - m74 |
a | 13.4824 ± 0.0002 Å |
b | 35.5978 ± 0.0006 Å |
c | 23.3473 ± 0.0004 Å |
α | 90° |
β | 117.597 ± 0.001° |
γ | 90° |
Cell volume | 9930.5 ± 0.3 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
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 | 0.1121 |
Residual factor for significantly intense reflections | 0.0615 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1124 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/2224778.html
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