Information card for entry 4079334

Structure parameters

• Formula: C22 H26 B N7 O Ru
• Calculated formula: C22 H26 B N7 O Ru
• SMILES: [Ru]12([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)(Cc1ccccc1)(C#[N]C(C)(C)C)C#[O]
• Title of publication: Preparation, Characterization, and Reactivity of Azido Complex Containing a Tp(tBuNC)(PPh3)Ru Fragment and Ruthenium-Catalyzed Cycloaddition of Organic Azides with Alkynes in Organic and Aqueous Media
• Authors of publication: Lo, Yih-Hsing; Wang, Tsang-Hsiu; Lee, Chia-Yi; Feng, Ying-Hsuan
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6887
• a: 9.027 ± 0.0002 Å
• b: 16.176 ± 0.0004 Å
• c: 16.069 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2346.41 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P b n 21
• Hall space group symbol: P 2c -2ab
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No