Information card for entry 4070168

Structure parameters

• Formula: C21 H33 F6 N Os P2
• Calculated formula: C21 H33 F6 N Os P2
• SMILES: [OsH]12345([P](C(C)C)(C(C)C)C(C)C)([n]6c(C=C1)cccc6)[cH]1[cH]5[cH]4[cH]3[cH]21.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Olefin−Alkylidene Equilibrium of 2-Vinylpyridine in Osmium- and Ruthenium-Hydrido-Tris(pyrazolyl)borate and Osmium-Cyclopentadienyl Complexes
• Authors of publication: Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; Fuertes, Sara; López, Ana M.; Mozo, Silvia; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 20
• Pages of publication: 5941
• a: 8.5295 ± 0.0011 Å
• b: 19.393 ± 0.003 Å
• c: 14.2301 ± 0.0019 Å
• α: 90°
• β: 90.136 ± 0.002°
• γ: 90°
• Cell volume: 2353.8 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0712
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No