Information card for entry 4065999

Structure parameters

• Formula: C32 H52 B2 F4 N7 O Os P
• Calculated formula: C32 H52 B2 F4 N7 O Os P
• SMILES: [Os]1234([P](C(C)C)(C(C)C)C(C)C)([n]5ccccc5[CH]3=[C]34CCC3)[n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3.[B](F)(F)(F)[F-].CCOCC
• 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: 13.542 ± 0.002 Å
• b: 10.2168 ± 0.0015 Å
• c: 26.4 ± 0.004 Å
• α: 90°
• β: 94.85 ± 0.003°
• γ: 90°
• Cell volume: 3639.5 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.052
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No