Information card for entry 7113267

Structure parameters

• Formula: C38 H39 N Ni P2
• Calculated formula: C38 H39 N Ni P2
• SMILES: [Ni]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N2C(=C[P]1(C(C)C)C(C)C)c1ccccc1)c1ccccc1
• Title of publication: Amido pincer complex of nickel-catalysed Kumada cross-coupling reactions
• Authors of publication: Wang, Zhong-Xia; Wang, Li
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2423 - 2425
• a: 9.3992 ± 0.0018 Å
• b: 9.5847 ± 0.0018 Å
• c: 19.157 ± 0.004 Å
• α: 98.68 ± 0.003°
• β: 98.408 ± 0.003°
• γ: 94.569 ± 0.003°
• Cell volume: 1678.6 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7101980
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No