Information card for entry 4064045

Structure parameters

• Formula: C54 H60 B Cl O3 Os P
• Calculated formula: C54 H60 B Cl O3 Os P
• SMILES: [Os]12345(Cl)([P](c6ccccc6)(OCC)OCC)(C(OCC)=Cc6ccccc6)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)C(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation of Half-Sandwich Alkoxycarbene Complexes of Osmium(II)
• Authors of publication: Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1558
• a: 12.3115 ± 0.001 Å
• b: 14.1504 ± 0.0012 Å
• c: 14.4752 ± 0.0012 Å
• α: 75.418 ± 0.002°
• β: 77.243 ± 0.002°
• γ: 87.722 ± 0.002°
• Cell volume: 2380 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No