Information card for entry 4101792

Structure parameters

• Formula: C56 H71 B2 N6 O Os P
• Calculated formula: C56 H71 B2 N6 O Os P
• SMILES: [Os]123([P](C(C)C)(C(C)C)C(C)C)([n]4n([BH](n5[n]1ccc5)n1[n]2ccc1)ccc4)(=C=Cc1ccccc1)[CH2]=[CH2]3.O(CC)CC.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 13.194 ± 0.0012 Å
• b: 13.2046 ± 0.0012 Å
• c: 17.0692 ± 0.0015 Å
• α: 92.519 ± 0.002°
• β: 96.857 ± 0.002°
• γ: 118.83 ± 0.001°
• Cell volume: 2568.9 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No