Information card for entry 4066678

Structure parameters

• Formula: C24 H45 Cl2 F6 N Os P2 Si
• Calculated formula: C24 H45 Cl2 F6 N Os P2 Si
• SMILES: [Os]12345([P](C(C)C)(C(C)C)C(C)C)([N]#CC)([CH2]=[C]1=C([Si](C)(C)C)C)[cH]1[cH]2[cH]3[cH]4[cH]51.ClCCl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: C−H Bond Activation Reactions in π-Allene−Osmium−Triisopropylphosphine Complexes with Cyclopentadienyl or Hydridotris(pyrazolyl)borate Ligands: Formation of Isopropenyldiisopropylphosphine versus Hydride−Alkenylcarbyne Derivatives
• Authors of publication: Castro-Rodrigo, Ruth; Esteruelas, Miguel A.; López, Ana M.; Mozo, Silvia; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4071
• a: 10.3264 ± 0.0015 Å
• b: 12.0488 ± 0.0006 Å
• c: 13.6302 ± 0.0015 Å
• α: 89.589 ± 0.006°
• β: 72.938 ± 0.011°
• γ: 87.127 ± 0.007°
• Cell volume: 1619.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1419
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.702
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No