Information card for entry 7044279

Structure parameters

• Formula: C16 H16 Cl2 Os S2
• Calculated formula: C16 H16 Cl2 Os S2
• SMILES: [Os]123456(Sc7c(S1)c(Cl)ccc7Cl)[cH]1[c]2([cH]3[cH]4[c]5([cH]61)C(C)C)C
• Title of publication: Pseudo electron-deficient organometallics: limited reactivity towards electron-donating ligands
• Authors of publication: Pitto-Barry, Anaïs; Lupan, Alexandru; Zegke, Markus; Swift, Thomas; Attia, Amr A. A.; Lord, Rianne M.; Barry, Nicolas P. E.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.0325 ± 0.0009 Å
• b: 15.8037 ± 0.001 Å
• c: 16.5123 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3400.9 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No