Information card for entry 7113270

Structure parameters

• Formula: C48 H53 N3 Ni P2
• Calculated formula: C48 H53 N3 Ni P2
• SMILES: [Ni]12([N](=P(c3ccccc3)(c3ccccc3)c3c(N1C(=CP(=[N]2c1ccccc1)(C(C)C)C(C)C)c1ccccc1)cccc3)c1ccccc1)CCCC
• 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: 9.949 ± 0.0016 Å
• b: 10.3142 ± 0.0017 Å
• c: 20.637 ± 0.004 Å
• α: 81.768 ± 0.005°
• β: 87.185 ± 0.007°
• γ: 81.643 ± 0.006°
• Cell volume: 2072.7 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7101983
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No