Information card for entry 4066002

Structure parameters

• Formula: C24 H37 F6 N Os P2
• Calculated formula: C24 H37 F6 N Os P2
• SMILES: [Os]123456([P](C(C)C)(C(C)C)C(C)C)([n]7ccccc7C[C]71=[CH]2CC7)[cH]1[cH]6[cH]5[cH]4[cH]31.[P](F)(F)(F)(F)(F)[F-]
• 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: 11.5346 ± 0.0015 Å
• b: 16.098 ± 0.002 Å
• c: 13.7695 ± 0.0017 Å
• α: 90°
• β: 96.538 ± 0.002°
• γ: 90°
• Cell volume: 2540.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0676
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No