Information card for entry 4066681

Structure parameters

• Formula: C23 H38 B N6 Os P
• Calculated formula: C23 H38 B N6 Os P
• SMILES: [OsH]12([P](C(C)C)(C(C)C)C(C)C)([n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3)=C=CC(=C)C
• 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: 8.2181 ± 0.0015 Å
• b: 8.7108 ± 0.0015 Å
• c: 19.098 ± 0.004 Å
• α: 89.467 ± 0.005°
• β: 77.641 ± 0.003°
• γ: 78.37 ± 0.003°
• Cell volume: 1307.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No