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Information card for entry 4081169
Preview
Coordinates | 4081169.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H38 F6 N8 O12 Ru2 S2 |
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Calculated formula | C32 H38 F6 N8 O12 Ru2 S2 |
Title of publication | Reactivity of a (Bis-NHC)tricarbonylruthenium(0) Complex with Methyl Triflate and Methyl Iodide. Formation of Methyl- and Acetylruthenium(II) Derivatives: Experimental Results and Mechanistic DFT Calculations |
Authors of publication | Cabeza, Javier A.; Damonte, Marina; García-Álvarez, Pablo; Pérez-Carre Enrique |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4382 |
a | 24.4685 ± 0.0008 Å |
b | 6.5425 ± 0.0002 Å |
c | 25.8504 ± 0.0008 Å |
α | 90° |
β | 93.07 ± 0.003° |
γ | 90° |
Cell volume | 4132.3 ± 0.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0368 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0921 |
Weighted residual factors for all reflections included in the refinement | 0.0942 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4081169.html
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