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Information card for entry 4084008
Preview
Coordinates | 4084008.cif |
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Original paper (by DOI) | HTML |
Chemical name | miu~2~N,N'-bis[2-(2-hydroxyethoxy)ethyl]ethanediamidato(2-)-kappaN,kappaN'-kappaO,kappaO'-dichlorido- bis(eta^6^-p-cymene)-di-ruthenium(II) |
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Formula | C30 H46 Cl2 N2 O6 Ru2 |
Calculated formula | C30 H46 Cl2 N2 O6 Ru2 |
SMILES | C12C(N(CCOCCO)[Ru]34567([O]=2)([c]2([cH]7[cH]6[c]5([cH]4[cH]32)C(C)C)C)Cl)=[O][Ru]23456([c]7([cH]3[cH]6[c]5([cH]4[cH]27)C(C)C)C)(N1CCOCCO)Cl |
Title of publication | Strategy to Optimize the Biological Activity of Arene Ruthenium Metalla-Assemblies |
Authors of publication | Garci, Amine; Dobrov, Anatoly A.; Riedel, Tina; Orhan, Ersin; Dyson, Paul J.; Arion, Vladimir B.; Therrien, Bruno |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 14 |
Pages of publication | 3813 |
a | 9 ± 0.0005 Å |
b | 9.1532 ± 0.0005 Å |
c | 9.3851 ± 0.0006 Å |
α | 96.056 ± 0.003° |
β | 93.256 ± 0.002° |
γ | 95.327 ± 0.002° |
Cell volume | 763.76 ± 0.08 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0236 |
Residual factor for significantly intense reflections | 0.0224 |
Weighted residual factors for significantly intense reflections | 0.0613 |
Weighted residual factors for all reflections included in the refinement | 0.0622 |
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 | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4084008.html
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Users of the data should acknowledge the original authors of the
structural data.