Information card for entry 4066000

Structure parameters

• Formula: C28.5 H43 B Cl F6 N7 Os P2
• Calculated formula: C28.5 H43 B Cl F6 N7 Os P2
• Title of publication: Ring Expansion versusexo−endoIsomerization in (2-Pyridyl)methylenecyclobutane Coordinated to Hydrido(trispyrazolyl)borate- and Cyclopentadienyl-Osmium Complexes
• Authors of publication: Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; López, Fernando; Mascareñas, José L.; Mozo, Silvia; Oñate, Enrique; Saya, Lucía
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 2372
• a: 14.9919 ± 0.0017 Å
• b: 31.304 ± 0.003 Å
• c: 14.8308 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6960.2 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No