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Information card for entry 4079228
Preview
Coordinates | 4079228.cif |
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Original paper (by DOI) | HTML |
Formula | C46.5 H51.5 P2 Ru Si |
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Calculated formula | C46.5 H51.5 P2 Ru Si |
Title of publication | Iron and Ruthenium σ-Polyynyls of the General Formula [{M(dppe)Cp*}‒(C≡C)n‒R]0/+(M = Fe, Ru): An Experimental and Theoretical Investigation |
Authors of publication | Gendron, Frédéric; Burgun, Alexandre; Skelton, Brian W.; White, Allan H.; Roisnel, Thierry; Bruce, Michael I.; Halet, Jean-François; Lapinte, Claude; Costuas, Karine |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 19 |
Pages of publication | 6796 |
a | 48.476 ± 0.014 Å |
b | 18.052 ± 0.006 Å |
c | 20.193 ± 0.006 Å |
α | 90° |
β | 102.174 ± 0.005° |
γ | 90° |
Cell volume | 17273 ± 9 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.099 |
Residual factor for significantly intense reflections | 0.0603 |
Weighted residual factors for significantly intense reflections | 0.138 |
Weighted residual factors for all reflections included in the refinement | 0.1567 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4079228.html
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