Information card for entry 4072962

Structure parameters

• Formula: C42 H69 B F4 N2 O3 Os P2
• Calculated formula: C42 H69 B F4 N2 O3 Os P2
• SMILES: [Os]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(OC(=O)C)([N]#CC)([N]#CC)=CC=C(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].O=C(C)C
• Title of publication: Hydride-Carbyne to Carbene Transformation in an Osmium-Acetate-Bis(triisopropylphosphine) System: Influence of the Coordination Mode of the Carboxylate and the Reaction Solvent
• Authors of publication: Bolaño, Tamara; Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 2037
• a: 20.354 ± 0.002 Å
• b: 9.5203 ± 0.0011 Å
• c: 23.038 ± 0.003 Å
• α: 90°
• β: 93.378 ± 0.002°
• γ: 90°
• Cell volume: 4456.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No