Information card for entry 4112629

Structure parameters

• Formula: C78.5 H67 Cl5 O Os P4
• Calculated formula: C78.5 H63 Cl5 O Os P4
• SMILES: [Os]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)=CC(=CC(=C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.O.C(Cl)Cl.C(Cl)Cl
• Title of publication: Osmabenzenes from the Reactions of HC\τbCCH(OH)C\τbCH with OsX2(PPh3)3 (X = Cl, Br)
• Authors of publication: Haiping Xia; Guomei He; Hong Zhang; Ting Bin Wen; Herman H. Y. Sung; Ian D. Williams; Guochen Jia
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6862 - 6863
• a: 18.0416 ± 0.0003 Å
• b: 24.7309 ± 0.0002 Å
• c: 18.9007 ± 0.0003 Å
• α: 90°
• β: 111.682 ± 0.001°
• γ: 90°
• Cell volume: 7836.5 ± 0.2 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: 0.1948
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.2255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No