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Information card for entry 2238277
Preview
Coordinates | 2238277.cif |
---|---|
Structure factors | 2238277.hkl |
Original IUCr paper | HTML |
Chemical name | <i>cis</i>-Bis(<i>O</i>-methyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) |
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Formula | C40 H36 O2 P2 Ru S4 |
Calculated formula | C40 H36 O2 P2 Ru S4 |
SMILES | [Ru]12([S]=C(S1)OC)([S]=C(S2)OC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | <i>cis</i>-Bis(<i>O</i>-methyldithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphane-κ<i>P</i>)ruthenium(II) |
Authors of publication | Valerio-Cárdenas, Cintya; Hernández-Ortega, Simón; Reyes-Martínez, Reyna; Morales-Morales, David |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2013 |
Journal volume | 69 |
Journal issue | 7 |
Pages of publication | m408 - m409 |
a | 10.7285 ± 0.0003 Å |
b | 18.547 ± 0.0004 Å |
c | 38.0785 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7576.9 ± 0.3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0637 |
Residual factor for significantly intense reflections | 0.039 |
Weighted residual factors for significantly intense reflections | 0.0843 |
Weighted residual factors for all reflections included in the refinement | 0.0967 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/2238277.html
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Users of the data should acknowledge the original authors of the
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