Information card for entry 4068779

Structure parameters

• Formula: C61 H55 Cl6 O2 Os P3
• Calculated formula: C61 H55 Cl6 O2 Os P3
• SMILES: [Os]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Cl)(Cl)[O]=C(C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C1)OCC.ClCCl.C(Cl)Cl
• Title of publication: Nine-Membered Osmacycles Derived from Metathesis Reactions between Alkynes and an Osmafuran
• Authors of publication: Lin, Yumei; Gong, Lei; Xu, Hui; He, Xumin; Wen, Ting Bin; Xia, Haiping
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1524
• a: 12.6801 ± 0.0003 Å
• b: 21.1499 ± 0.0004 Å
• c: 21.4017 ± 0.0004 Å
• α: 90°
• β: 104.597 ± 0.002°
• γ: 90°
• Cell volume: 5554.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No