Information card for entry 4101791

Structure parameters

• Formula: C32 H49 B2 F4 N6 O2 Os P
• Calculated formula: C32 H49 B2 F4 N6 O2 Os P
• SMILES: [Os]12([P](C(C)C)(C(C)C)C(C)C)([O]=C(C)C)([n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3)=C=Cc1ccccc1.[B](F)(F)(F)[F-].O=C(C)C
• Title of publication: Cleavage of Both C(sp3)-C(sp2) Bonds of Alkylidenecyclopropanes: Formation of Ethylene-Osmium-Vinylidene Complexes
• Authors of publication: Ruth Castro-Rodrigo; Miguel A. Esteruelas; Ana M. López; Fernando López; José L. Mascareñas; Montserrat Oliván; Enrique Oñate; Lucía Saya; Lara Villarino
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 454 - 455
• a: 12.9099 ± 0.0015 Å
• b: 16.726 ± 0.002 Å
• c: 17.744 ± 0.002 Å
• α: 90°
• β: 100.233 ± 0.002°
• γ: 90°
• Cell volume: 3770.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No