Information card for entry 4068784

Structure parameters

• Formula: C69 H60 Cl3 N0 O3 Os P3
• Calculated formula: C69 H60 Cl3 O3 Os P3
• SMILES: [Os]123([CH](C(=C(O3)OCC)[P+](c3ccccc3)(c3ccccc3)c3ccccc3)=[CH]1C2C(=O)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.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: 14.9807 ± 0.0002 Å
• b: 25.0138 ± 0.0004 Å
• c: 16.0283 ± 0.0002 Å
• α: 90°
• β: 95.675 ± 0.001°
• γ: 90°
• Cell volume: 5976.75 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0461
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No