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Information card for entry 4510839
Preview
Coordinates | 4510839.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H20 Cl2 N2 Ru |
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Calculated formula | C13 H20 Cl2 N2 Ru |
SMILES | C1[C]2(C)=[CH]3CC[CH]4=[C]5(C)C[Ru]12345([n]1c[nH]cc1)(Cl)Cl |
Title of publication | Imidazole Based Ruthenium(IV) Complexes as Highly Efficient Bifunctional Catalysts for the Redox Isomerization of Allylic Alcohols in Aqueous Medium: Water as Cooperating Ligand |
Authors of publication | Díez, Josefina; Gimeno, José; Lledós, Agustí; Suárez, Francisco J.; Vicent, Cristian |
Journal of publication | ACS Catalysis |
Year of publication | 2012 |
Journal volume | 2 |
Journal issue | 10 |
Pages of publication | 2087 |
a | 12.1026 ± 0.0005 Å |
b | 11.1887 ± 0.0005 Å |
c | 11.2215 ± 0.0003 Å |
α | 90° |
β | 93.417 ± 0.002° |
γ | 90° |
Cell volume | 1516.83 ± 0.1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0328 |
Residual factor for significantly intense reflections | 0.0293 |
Weighted residual factors for significantly intense reflections | 0.0894 |
Weighted residual factors for all reflections included in the refinement | 0.1032 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.167 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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