Information card for entry 4076505

Structure parameters

• Formula: C68.35 H71.71 B2 Cl0.71 F24 N6 Os P
• Calculated formula: C68.354 H71.708 B2 Cl0.708 F24 N6 Os P
• Title of publication: Anti-Markovnikov 1,3-CH Addition of Allenes to Allenes: A Straightforward Method To Prepare Osmium‒Dienylcarbene Complexes
• Authors of publication: Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1991
• a: 13.2854 ± 0.0013 Å
• b: 20.752 ± 0.002 Å
• c: 28.06 ± 0.003 Å
• α: 90°
• β: 91.672 ± 0.001°
• γ: 90°
• Cell volume: 7732.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No