Information card for entry 4118584

Structure parameters

• Formula: C29 H58 B N O2 P2 Ru
• Calculated formula: C29 H58 B N O2 P2 Ru
• SMILES: [RuH]123([P](Cc4[n]2c(ccc4)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[H][B]1(OC(C(O1)(C)C)(C)C)[H]3
• Title of publication: Ruthenium Catalyzed Hydroboration of Terminal Alkynes toZ-Vinylboronates
• Authors of publication: Chidambaram Gunanathan; Markus Hölscher; Fangfang Pan; Walter Leitner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 14349 - 14352
• a: 11.865 ± 0.003 Å
• b: 16.434 ± 0.003 Å
• c: 17.172 ± 0.004 Å
• α: 90°
• β: 104.573 ± 0.003°
• γ: 90°
• Cell volume: 3240.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No