Information card for entry 4323367

Structure parameters

• Formula: C14 H13 Cl2 N Os S4
• Calculated formula: C14 H13 Cl2 N Os S4
• SMILES: [Os]12(Sc3ccccc3S1)(Sc1c([S]2C)cccc1)#N.C(Cl)Cl
• 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: 8.552 ± 0.001 Å
• b: 10.772 ± 0.002 Å
• c: 19.716 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1816.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.0843
• Goodness-of-fit parameter for all reflections: 0.962
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No