Information card for entry 4065145

Structure parameters

• Formula: C22.85 H41 B2 Cl1.7 F4 N6 O0.15 Os P
• Calculated formula: C22.85 H41 B2 Cl1.7 F4 N6 O0.15 Os P
• SMILES: [Os]1234([P](C(C)C)(C(C)C)C(C)C)([n]5n([BH](n6[n]1ccc6)n1[n]2ccc1)ccc5)([CH2]=[CH2]3)[CH2]=[CH2]4.[B](F)(F)(F)[F-].C(Cl)Cl.O
• Title of publication: Reactions of an Osmium Bis(dihydrogen) Complex under Ethylene: Phosphine Addition to a C‒C Double Bond and C‒H Bond Activation of Fluoroarenes
• Authors of publication: Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 21
• Pages of publication: 5710
• a: 8.7811 ± 0.0004 Å
• b: 18.3167 ± 0.0008 Å
• c: 18.741 ± 0.0009 Å
• α: 90°
• β: 101.68 ± 0.001°
• γ: 90°
• Cell volume: 2951.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No