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Information card for entry 4323365
Preview
Coordinates | 4323365.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H44 N2 Ru S4 |
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Calculated formula | C28 H44 N2 Ru S4 |
SMILES | [Ru]12(Sc3ccccc3S1)(Sc1c(S2)cccc1)#N.[N+](CCCC)(CCCC)(CCCC)CCCC |
Title of publication | Synthesis, Structure, and Reactivity of Ruthenium and Osmium Nitrido Complexes with 1,2-Benzenedithiolate Ligands: N- versus S-Alkylation |
Authors of publication | Dieter Sellmann; Michael W. Wemple; Wolfgang Donaubauer; Frank W. Heinemann |
Journal of publication | Inorganic Chemistry |
Year of publication | 1997 |
Journal volume | 36 |
Pages of publication | 1397 - 1402 |
a | 36.881 ± 0.006 Å |
b | 9.402 ± 0.002 Å |
c | 17.652 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6120.9 ± 1.8 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for all reflections | 0.042 |
Weighted residual factors for significantly intense reflections | 0.0399 |
Goodness-of-fit parameter for all reflections | 0.635 |
Goodness-of-fit parameter for significantly intense reflections | 0.771 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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