Information card for entry 4075358

Structure parameters

• Formula: C19 H41 B N2 O P2 Pd
• Calculated formula: C19 H41 B N2 O P2 Pd
• SMILES: [Pd](C(CC)=C1CCOB1N(C(C)C)C(C)C)([P](C)(C)C)([P](C)(C)C)C#N
• Title of publication: Reactions of Cyanoboranes with a Palladium−PMe3Complex: Mechanism for the Catalytic Cyanoboration of Alkynes
• Authors of publication: Suginome, Michinori; Yamamoto, Akihiko; Sasaki, Taisuke; Murakami, Masahiro
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 12
• Pages of publication: 2911
• a: 9.1207 ± 0.0003 Å
• b: 27.7759 ± 0.0009 Å
• c: 10.5276 ± 0.0005 Å
• α: 90°
• β: 110.201 ± 0.001°
• γ: 90°
• Cell volume: 2502.96 ± 0.17 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No