Information card for entry 2223900

Structure parameters

• Chemical name: Carbonylchlorido(1-methylsulfanylpenta-1,3-dien-1-yl-5- ylidene)bis(triphenylphosphane)osmium(II)
• Formula: C43 H37 Cl O Os P2 S
• Calculated formula: C43 H37 Cl O Os P2 S
• SMILES: [Os]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C(SC)=CC=CC=1)C#[O]
• Title of publication: Carbonylchlorido(1-methylsulfanylpenta-1,3-dien-1-yl-5-ylidene)bis(triphenylphosphane)osmium(II)
• Authors of publication: Johns, Paul M.; Roper, Warren R.; Woodgate, Scott D.; Wright, L. James
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1319
• a: 13.5565 ± 0.0001 Å
• b: 15.7136 ± 0.0002 Å
• c: 18.2264 ± 0.0003 Å
• α: 90°
• β: 109.978 ± 0.001°
• γ: 90°
• Cell volume: 3648.97 ± 0.08 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• 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: 0.0334
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes