Information card for entry 4068780

Structure parameters

• Formula: C42.5 H43 Cl3 O2 Os P2
• Calculated formula: C42.5 H43 Cl3 O2 Os P2
• SMILES: [Os]123(Cl)(Cl)([P](C)(C)C)[O]=C(OCC)C(=P(c4ccccc4)(c4ccccc4)c4ccccc4)[CH]1=[CH]2C(=CC=3c1ccccc1)c1ccccc1.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: 12.6837 ± 0.0002 Å
• b: 23.4194 ± 0.0004 Å
• c: 14.1523 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4203.86 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No