Information card for entry 4065144

Structure parameters

• Formula: C24 H43 B2 F4 N6 Os P
• Calculated formula: C24 H43 B2 F4 N6 Os P
• SMILES: [Os]1234([n]5n(ccc5)[BH](n5[n]1ccc5)n1[n]2ccc1)([CH2]=[CH2]3)([CH2]=[CH2]4)CC[P+](C(C)C)(C(C)C)C(C)C.[B](F)(F)(F)[F-]
• 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: 18.9405 ± 0.0011 Å
• b: 8.6971 ± 0.0005 Å
• c: 17.7071 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2916.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1139
• 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: Yes
• Has Fobs: No