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Information card for entry 4065030
Preview
Coordinates | 4065030.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Compound X |
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Formula | C72.5 H59 Cl O1.5 P3 Ru |
Calculated formula | C71 H56 Cl O P3 Ru |
SMILES | [Ru]1(Cl)([P](C#Cc2ccccc2)(c2ccccc2)c2ccccc2)([P](C#Cc2ccccc2)(c2ccccc2)c2ccccc2)([P](C#Cc2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(C)C/C1=C\c1ccccc1 |
Title of publication | Octahedral Alkynylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Electrochemistry |
Authors of publication | Berenguer, Jesús; Bernechea, María; Fernández, Julio; Gil, Belén; Lalinde, Elena; Moreno, M. Teresa; Ruiz, Santiago; Sánchez, Sergio |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 17 |
Pages of publication | 4665 |
a | 13.55 ± 0.0003 Å |
b | 18.1803 ± 0.0005 Å |
c | 27.7471 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6835.3 ± 0.3 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0412 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0929 |
Weighted residual factors for all reflections included in the refinement | 0.0959 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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