Information card for entry 4127868

Structure parameters

• Formula: C53 H70 B Cl N4 O P Ru
• Calculated formula: C53 H70 B Cl N4 O P Ru
• Title of publication: Ruthenium-Catalyzed (<i>Z</i>)-Selective Hydroboration of Terminal Alkynes with Naphthalene-1,8-diaminatoborane.
• Authors of publication: Yamamoto, Kensuke; Mohara, Yusei; Mutoh, Yuichiro; Saito, Shinichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 43
• Pages of publication: 17042 - 17047
• a: 9.1502 ± 0.0007 Å
• b: 14.1459 ± 0.0011 Å
• c: 19.8419 ± 0.0015 Å
• α: 93.566 ± 0.001°
• β: 99.448 ± 0.001°
• γ: 107.108 ± 0.001°
• Cell volume: 2404.7 ± 0.3 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: 0.0329
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No