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Information card for entry 4083172
Preview
Coordinates | 4083172.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H22 Ru |
---|---|
Calculated formula | C18 H22 Ru |
SMILES | [Ru]12345678([c]9%10[c]1([cH]2[cH]3[cH]49)CCCC%10)[c]12[cH]8[cH]7[cH]6[c]51CCCC2 |
Title of publication | Adsorption of Ruthenium and Iron Metallocenes on Silica: A Solid-State NMR Study |
Authors of publication | Cluff, Kyle J.; Bhuvanesh, Nattamai; Blümel, Janet |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 11 |
Pages of publication | 2671 |
a | 12.3717 ± 0.0014 Å |
b | 6.5709 ± 0.0007 Å |
c | 17.5678 ± 0.0019 Å |
α | 90° |
β | 96.262 ± 0.006° |
γ | 90° |
Cell volume | 1419.6 ± 0.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 3 |
Space group number | 7 |
Hermann-Mauguin space group symbol | P 1 c 1 |
Hall space group symbol | P -2yc |
Residual factor for all reflections | 0.021 |
Residual factor for significantly intense reflections | 0.0209 |
Weighted residual factors for significantly intense reflections | 0.0514 |
Weighted residual factors for all reflections included in the refinement | 0.0514 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4083172.html
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Users of the data should acknowledge the original authors of the
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