Information card for entry 4323364

Structure parameters

• Formula: C31 H23 N Os S4
• Calculated formula: C31 H23 N Os S4
• SMILES: [Os]12(Sc3ccccc3S1)(Sc1c(S2)cccc1)=NC(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.338 ± 0.008 Å
• b: 10.001 ± 0.003 Å
• c: 16.28 ± 0.006 Å
• α: 75.88 ± 0.03°
• β: 74.2 ± 0.06°
• γ: 69.55 ± 0.05°
• Cell volume: 1351.9 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections: 0.0897
• Weighted residual factors for significantly intense reflections: 0.0892
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No