Information card for entry 4112068

Structure parameters

• Formula: C24 H45 B Cl N Ni O P2
• Calculated formula: C24 H45 B Cl N Ni O P2
• SMILES: [Ni](C(=C1CC(O[B]1N(C(C)C)C(C)C)(C)C)c1ccccc1)(Cl)([P](C)(C)C)[P](C)(C)C
• Title of publication: Nickel-Catalyzedtrans-Alkynylboration of Alkynes via Activation of a Boron-Chlorine Bond
• Authors of publication: Akihiko Yamamoto; Michinori Suginome
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 15706 - 15707
• a: 10.031 ± 0.004 Å
• b: 11.74 ± 0.005 Å
• c: 14.711 ± 0.007 Å
• α: 103.3 ± 0.02°
• β: 103.09 ± 0.02°
• γ: 111.77 ± 0.01°
• Cell volume: 1469.6 ± 1.2 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 2.297
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No