Information card for entry 4079738

Structure parameters

• Formula: C35.5 H51.4 B N7 Os P
• Calculated formula: C35.5 H51.4 B N7 Os P
• SMILES: [Os]12([P](C(C)C)(C(C)C)C(C)C)([n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3)(c1[nH+]c(ccc1)C)C#Cc1ccccc1.CCCCC
• Title of publication: Alkenylation of 2-Methylpyridine via Pyridylidene‒Osmium Complexes
• Authors of publication: Bajo, Sonia; Esteruelas, Miguel A.; López, Ana M.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 24
• Pages of publication: 8618
• a: 16.5362 ± 0.0008 Å
• b: 15.2844 ± 0.0008 Å
• c: 15.755 ± 0.0008 Å
• α: 90°
• β: 107.34 ± 0.001°
• γ: 90°
• Cell volume: 3801 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No