Information card for entry 4076744

Structure parameters

• Chemical name: [Os(xylyl)3(MeCN)Cl]?
• Formula: C26 H30 Cl N Os S3
• Calculated formula: C26 H30 Cl N Os S3
• SMILES: c1(c(cccc1C)C)S[Os](Cl)([N]#CC)(Sc1c(cccc1C)C)Sc1c(cccc1C)C
• Title of publication: σ-Acetylide Complexes of Ruthenium(IV) and Osmium(IV) Thiolates
• Authors of publication: Zhang, Qian-Feng; Lai, Chui-Ying; Wong, Wai-Yeung; Leung, Wa-Hung
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 4017
• a: 11.0445 ± 0.0007 Å
• b: 15.2828 ± 0.001 Å
• c: 16.4988 ± 0.001 Å
• α: 90°
• β: 102.403 ± 0.001°
• γ: 90°
• Cell volume: 2719.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.788
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No