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Information card for entry 4326025
Preview
Coordinates | 4326025.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H65.5 Cl4 N4 O0.75 Ru2 |
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Calculated formula | C38 H58 Cl4 N4 Ru2 |
SMILES | [Ru]12345(Cl)(Cl)(=C6N(C=CN6CCCCN6C(=[Ru]789%10%11(Cl)(Cl)[cH]%12[c]%11([cH]%10[cH]9[c]8([cH]7%12)C(C)C)C)N(C=C6)CCCC)CCCC)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C |
Title of publication | Probing Intermetallic Coupling in Dinuclear N-Heterocyclic Carbene Ruthenium(II) Complexes |
Authors of publication | Laszlo Mercs; Antonia Neels; Helen Stoeckli-Evans; Martin Albrecht |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8188 - 8196 |
a | 30.4955 ± 0.0019 Å |
b | 30.6288 ± 0.0015 Å |
c | 9.5047 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8877.8 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.1113 |
Residual factor for significantly intense reflections | 0.0886 |
Weighted residual factors for significantly intense reflections | 0.2374 |
Weighted residual factors for all reflections included in the refinement | 0.2582 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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