Information card for entry 4103927

Structure parameters

• Formula: C71 H87 B Cl2 N2 O Os P2
• Calculated formula: C71 H87 B Cl2 N2 O Os P2
• SMILES: [Os]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)([N]#CC)([N]#CC)(C1=CC(c2ccccc2)(c2ccccc2)C(=C1)c1ccccc1)C#[O].ClCCl.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Nazarov Type Cyclization on an Osmium-Dienylcarbene Complex
• Authors of publication: Tamara Bolaño; Ricardo Castarlenas; Miguel A. Esteruelas; Enrique Oñate
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2064 - 2065
• a: 13.297 ± 0.003 Å
• b: 13.818 ± 0.003 Å
• c: 18.023 ± 0.003 Å
• α: 93.172 ± 0.003°
• β: 101.882 ± 0.003°
• γ: 91.269 ± 0.003°
• Cell volume: 3233.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0781
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No